PDB ID: 6nb7


Macromolecule:
SPIKE GLYCOPROTEIN

Source Organism:
SARSr-CoV

Gene names:
2
S

UniProt ID:
P59594

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6nb7'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.67A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVM_C_PFLC408_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 11
LEU C 994
ILE B 995
ALA A 998
ILE A 995
GLU A 999
1.32A13.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.64A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.11A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		Adenosine5 / 9
GLY B 871
ALA B 866
TYR B 771
ALA B 858
LEU B 859
1.38A13.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 6
GLN B 883
PHE B 880
PRO B 879
PHE B 779
PHE B 784
1.77A11.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.65A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		Azithromycin5 / 12
VAL A1076
TYR C 886
ALA C 872
GLY A1028
TYR A1049
1.30A12.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A35_A_RBFA191_1
(LUMAZINE PROTEIN)		Riboflavin5 / 12
LEU B1006
THR B1009
ALA B1002
ASN B 759
ILE B1000
1.39A9.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)		Cholic Acid4 / 8
PRO B 710
SER B1003
VAL B 934
MET B 713
1.64A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_C_TFPC201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
PHE B1034
GLY B1026
ILE B 916
PHE B 782
PHE B 784
1.58A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.74A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4003_1
(SERUM ALBUMIN)		Halothane5 / 9
PHE C 870
LEU C1016
VAL C 860
GLY C 862
ALA C 857
1.16A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
PHE B  62
TYR B  63
ALA B 618
ALA B 275
LEU B 283
1.59A16.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
TYR B 899
VAL C1110
ILE C1115
ILE C1063
PHE C1071
1.60A7.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
LEU B 681
LEU A 846
GLY B 653
ILE B 656
1.35A3.67
7.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_B_ADNB505_2
(-)		Adenosine4 / 4
GLN C1036
THR C 856
HIS C1040
LEU C 930
1.78A17.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Tacrolimus5 / 11
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.78A7.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 9
PHE B 784
ILE B 787
PHE B 909
VAL B1015
VAL B 860
1.55A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA B 857
THR B 856
ALA B 854
GLY B 862
SER B 861
1.15A10.68
10.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		Propofol4 / 6
LEU B 983
SER B 985
LEU B 944
ARG B 982
1.15A9.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_B_SAMB601_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B 871
GLY C1026
GLY C1028
GLY B 873
THR C1048
HIS C1030
1.72A12.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.69A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid6 / 12
GLN A 947
THR A 943
GLN C 987
LEU C 983
ASN C 721
LEU C 745
1.58A13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QGI_A_ROCA101_1
(PROTEASE)		Saquinavir5 / 11
GLY B 953
ASP B 976
ILE B 979
GLY B 981
VAL B 958
1.34A5.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN0_A_MTXA301_1
(FOLATE RECEPTOR BETA)		Methotrexate5 / 12
GLN A 883
TRP A 868
ARG A 887
GLY A 871
SER A1033
1.25A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 7
ASN A 304
ASP C 719
GLY C 726
ASN C 721
1.56A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)		Sulindac5 / 11
LEU B 898
ILE B 905
ILE B 702
VAL B1047
LEU B1031
1.35A5.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 8
ILE C1112
GLY C1113
PHE B 888
ASN C 691
1.10A12.18
None
None
None
NAG  C1324 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		Felodipine6 / 10
LEU B1045
VAL B1043
ALA B1037
THR B 856
ILE B 787
VAL B 860
1.44A16.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl5 / 12
LEU B1045
PHE B1044
VAL B1043
ALA B1038
GLY B1041
1.68A9.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA A 926
LEU A 927
LEU A 920
LEU A 803
SER A 798
1.34A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.12A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		Riboflavin5 / 9
LEU B 986
ILE B 979
ARG B 977
LEU B 978
GLY B 726
1.61A7.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL B 860
LEU B1045
ILE B 787
ILE B 800
LEU B 920
LEU B 803
1.58A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		S-Adenosylmethionine5 / 11
VAL B 708
THR B 706
ALA B1037
ILE B 852
PHE B 805
1.35A16.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY C 871
GLY A1028
VAL A1050
ALA C 874
ALA C 875
1.44A10.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 12
ILE C 979
THR C 980
PHE C 952
GLN C 984
LEU C 983
1.43A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU A 963
ASN A 960
SER A 956
LEU A 978
SER A 728
1.55A18.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Clarithromycin5 / 12
GLY B 682
TYR A 855
ASP A 757
ILE B 656
TYR B 677
1.70A12.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH3_A_017A101_1
(PROTEASE)		Darunavir5 / 12
GLY A 873
ALA A 872
VAL B1022
GLY A 867
ILE A 878
1.18A5.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.66A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.69A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_B_CHDB1086_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.60A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 749
GLY A 751
SER A 750
LEU A 994
ALA B 940
1.72A9.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PJ7_A_FFOA2887_0
(N,N-DIMETHYLGLYCINE
OXIDASE)		Levoleucovorin5 / 12
MET B 851
LEU C 681
GLY C 682
TYR B 855
TYR C 677
1.64A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 8
VAL B 708
PRO B 710
VAL B 711
SER B 712
1.36A10.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine5 / 12
LEU C 749
ILE A 299
SER A 582
ILE C 752
ALA C 754
1.57A11.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 6
ILE B 652
ILE A 852
TYR A 855
MET B 679
1.36A12.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_1
(POL POLYPROTEIN)		Darunavir5 / 12
GLY A 873
ALA A 872
VAL B1022
GLY A 867
ILE A 878
1.20A6.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 7
ILE C1112
VAL B 893
PHE B 888
ILE B 905
ASN C1107
1.78A12.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 7
GLY C 634
PHE B 837
GLY C 579
PHE C 578
1.33A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_G_CHDG229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.68A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Bexarotene5 / 12
ALA A 874
LEU A 876
ALA A 875
VAL B 893
ILE B 891
1.38A10.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_G_CHDG86_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.63A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		Sulfamethoxazole4 / 8
THR A 302
ARG C 747
GLY A 580
SER C 717
1.48A12.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY A1113
ILE C 905
GLY C 780
ALA C 881
ALA C 885
1.41A10.76
NAG  A1325 ( 4.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		S-Adenosylmethionine3 / 3
SER A 985
THR C 988
GLN C 984
1.13A13.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_G_CHDG229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.66A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		Raloxifene5 / 12
ALA C 885
ARG A1089
ILE A1063
ILE A1115
GLY A1113
1.36A12.18
None
None
None
None
NAG  A1325 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE B 905
LEU B 898
TYR B1049
THR B1048
1.65A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNZ_B_TA1B902_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
LEU A 745
LEU A 983
ARG B 982
1.03A16.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		Sirolimus5 / 11
PHE A 952
GLN A 984
ILE A 724
TYR A 723
VAL A 718
1.38A8.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_A_PQNA841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
PHE C 741
SER C 740
ALA C 748
LEU C 745
LEU B 745
1.49A19.39
2.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.12A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE C 962
LEU C 959
ARG C 977
THR C 980
1.30A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		Streptomycin4 / 6
ILE A1000
ASN A 759
HIS A1040
VAL A 842
1.42A8.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 11
LEU A 745
LEU A 749
LEU A 840
THR A 991
TYR A 723
1.69A13.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_FFOA1293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
LEU A 859
GLY A 862
LEU A1016
ALA A 864
PRO A1035
1.32A16.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.35A11.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_A_ADNA502_2
(-)		Adenosine4 / 4
GLN C 947
THR C 943
THR C 991
LEU B 745
1.50A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.72A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
THR B 760
ILE B1000
GLY B1041
ALA B1004
ALA B1037
1.20A11.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PHE C 782
VAL C1047
GLY C 867
PHE C1034
MET C 884
1.50A12.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid3 / 3
THR A 848
PRO A 845
ASP A 757
1.47A18.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
ALA B 858
VAL B 860
LEU B 859
ALA B 765
GLY C 682
1.52A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.67A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CJK_B_ACTB302_0
(IMMUNOGLOBULIN FAB
HEAVY CHAIN)		Acetic acid3 / 3
TYR C 738
GLY A 953
THR C 980
1.50A11.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ARG A 758
ILE A 752
ALA A 997
ALA A1004
1.31A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
THR B 856
PHE B 764
ALA B 853
LEU B 927
VAL B 808
1.65A10.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_B_CLMB1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		Chloramphenicol4 / 6
PRO B1039
GLY B1041
PRO B 710
ILE B1000
1.24A8.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA C 875
GLY C 871
ALA C 857
PHE C 870
TYR C 771
1.53A11.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_A_RTZA1_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU C 983
GLY A 981
LEU A 983
SER A 985
PHE A 741
1.49A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_A_SALA404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		Salicylic acid4 / 7
ASN B 759
ALA B1004
ARG B 996
ALA B 997
1.48A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW3_A_ACTA600_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		Acetic acid4 / 5
LEU A 749
VAL A 990
TYR A 989
ARG A 996
1.48A15.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
TYR C 771
ALA C 866
PHE C 779
LEU C 859
VAL C 860
1.74A18.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 8
PHE B 784
ILE B 787
PHE B 909
VAL B1015
VAL B 860
1.51A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A3B_A_RBFA191_1
(LUMAZINE PROTEIN)		Riboflavin5 / 12
LEU B1006
THR B1009
ALA B1002
ASN B 759
ILE B1000
1.39A9.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_O_CHDO302_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 9
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.64A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K6I_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Bexarotene5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.29A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEO_A_017A402_1
(PROTEASE)		Darunavir5 / 12
GLY A 873
ALA A 872
VAL B1022
GLY A 867
ILE A 878
1.19A4.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_1
(WBDD)		S-Adenosylmethionine4 / 6
TYR A 989
GLN A 992
ARG A 996
GLN A 987
1.68A18.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 8
TYR A 723
ILE A 724
LEU A 959
VAL A 958
LEU A 978
1.63A14.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		Febuxostat5 / 12
LEU A 930
PHE A 764
THR A 760
ALA A1007
ALA A1008
1.54A22.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		Parachlorophenol4 / 6
TYR C1070
PHE C1071
PHE C1103
PHE C1077
1.74A14.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		Saquinavir5 / 9
ALA B1062
ILE B1115
GLY B1113
ILE B1112
PRO A 879
1.58A5.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.68A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		Vorinostat4 / 8
HIS A1030
PHE A1024
HIS A1046
GLY A1026
1.15A16.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.72A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.81A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Ketoconazole5 / 12
PHE A 880
ALA A 854
ALA A 853
ILE A 913
LEU A 788
1.37A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ILE A 787
ALA A1037
ALA A 858
PHE A 784
PRO A 774
1.35A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid4 / 6
LEU A 859
PHE A 764
ALA A 765
LEU A1016
1.31A12.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A 655
ILE A 652
ASP C 757
LEU C 847
ARG C 761
1.33A12.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		Gabapentin5 / 10
TYR C1029
TYR B 886
GLY B 867
GLY B 871
ALA B 872
1.66A13.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.62A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGD_A_ACTA821_0
(GEPHYRIN)		Acetic acid3 / 3
ARG C 977
PHE C 952
GLY C 953
1.03A16.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
GLY C 780
GLY C 781
TYR C 778
PHE C 909
PHE C 784
1.78A17.89
None
None
NAG  C1328 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone4 / 5
PRO B1035
VAL B1015
GLY B1028
VAL B1047
1.39A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		Vitamin A3 / 3
PHE C 805
THR C 706
LEU C 930
1.12A8.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJU_A_TPVA500_1
(PROTEASE)		Tipranavir5 / 12
ALA B1062
ILE B1115
GLY B1113
ILE B1112
PRO A 879
1.48A5.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQF_A_SAMA430_0
(SUN PROTEIN)		S-Adenosylmethionine5 / 12
ALA A 881
GLY A 780
GLY A 781
ILE A 878
GLY A 867
1.46A15.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		Edetic Acid4 / 8
THR A 863
THR A 865
PRO A 789
ILE A 787
1.36A11.56
5.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.14A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B1045
ALA B1038
VAL B 708
THR B 706
VAL B1043
1.11A5.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		Fulvestrant5 / 12
TYR A 738
ILE A 724
PHE A 952
TYR C 738
LEU C 735
1.63A18.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU B1031
LEU B 898
VAL B 897
ILE B 702
PHE B 700
1.34A8.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		Ketoconazole4 / 7
PHE B1034
ILE B 704
ILE B 702
GLY B1017
1.22A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		Vorapaxar5 / 12
LEU B 846
LEU C 681
ALA B 857
ALA B 858
TYR B 855
1.44A16.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		Alitretinoin5 / 12
ALA B 906
GLN B 902
PHE B 880
HIS B1030
LEU B1031
1.56A11.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine5 / 12
LEU B 749
GLY B 839
PRO C 575
ASN C 304
LEU B 840
1.63A18.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1X_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 8
TYR B 723
LEU B 840
LEU B 745
LEU B 749
0.98A14.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CXV_A_0HKA501_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)		Tiotropium3 / 3
THR A1098
THR A1099
PHE A1103
1.16A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		Cholic Acid4 / 8
ARG B 887
PRO B 774
VAL B 860
GLY B 862
1.13A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		Acarbose5 / 12
GLY C 751
LEU C 749
PRO A 617
GLU A 285
ARG C 747
1.41A19.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)		Zidovudine4 / 8
LEU C 978
ILE C 724
PHE C 741
TYR C 723
1.28A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE B 687
TYR A 771
GLY A 862
VAL A 767
ALA A 875
1.26A16.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin5 / 9
PRO A1039
GLY A1041
ALA A1038
ALA A 926
LEU A 804
1.77A17.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		Acetic acid3 / 3
VAL B 990
ALA B 748
GLN B 987
0.90A17.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		Methotrexate5 / 12
ALA A 866
SER A1033
PRO A1035
LEU A 788
PRO A 789
1.51A17.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA A 938
ASN A 838
ASN A 942
ALA A 940
ARG A 996
1.65A11.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL B 990
LEU B 745
LEU B 983
GLN B 984
THR C 988
1.42A14.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR B 771
GLY B 862
THR B 865
ALA B 857
GLY B 871
1.59A12.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		L-Valine3 / 3
ALA C1069
PHE C1103
GLN B 895
1.44A13.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.37A10.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.08A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.69A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY C 862
ILE A 687
VAL C 767
SER A 685
1.51A15.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERE_E_ESTE600_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
ALA B1038
LEU B 927
LEU B 920
HIS B1046
1.36A11.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY B1041
VAL B 763
ALA B1007
SER B1003
1.45A15.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECX_A_SAMA1301_1
(STIE PROTEIN)		S-Adenosylmethionine4 / 5
THR B 743
ARG B 747
THR C 988
GLN B 987
1.60A14.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE C 741
SER C 740
ALA C 748
LEU C 745
LEU B 745
1.46A18.76
2.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		Glycine4 / 7
PHE B 764
ILE B 852
GLY B1041
THR B 856
1.62A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
ALA A 971
LEU A 959
GLU A 972
LEU A 734
0.89A7.92
3.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.78A9.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOI_C_FRDC305_3
(PEPTIDE INHIBITOR)		Amphetamine4 / 6
PRO A 651
GLY A 653
GLN C 756
SER C 712
1.15A1.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.61A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		Icosapent5 / 8
LEU C1045
ILE C 913
PHE C1034
ALA C 912
PHE C 909
1.77A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		Niacin4 / 5
PHE C1034
PHE C 784
PHE C 782
VAL C1047
1.75A8.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 11
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.66A8.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MFQ_B_GCSB503_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
TEICOPLANIN
PSEUDOAGLYCONE)		Glucosamine4 / 6
GLN B 883
MET B1032
ALA B 881
PHE B 784
1.61A13.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_0
(WBDD)		S-Adenosylmethionine5 / 12
ALA C 906
ILE C 702
ASN C 907
ILE C 704
ILE C 916
1.19A18.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
SER A 798
LEU A 788
ILE A 913
LEU A1045
VAL A1043
1.50A11.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.14A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
TYR A 771
PHE A 870
ALA A 872
ALA A 857
ALA A 854
1.53A16.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		Cefotaxime5 / 12
ALA C 754
TYR A 300
GLY C 751
SER C 750
ASN C 746
1.27A11.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 871
GLY C1028
GLY B 873
THR C1048
HIS C1030
1.40A11.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		Gemcitabine5 / 12
ALA A 864
VAL A 860
LEU A 788
PHE A1034
ILE A 913
1.46A16.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OMB_D_IPHD2002_0
(BENCE JONES KWR
PROTEIN -
IMMUNOGLOBULIN LIGHT
CHAIN)		Phenol4 / 7
TYR C  42
PRO C  43
TYR C 266
TYR C  53
1.54A12.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
LEU A 859
GLY A 862
LEU A1016
ALA A 864
PRO A1035
1.27A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACL_G_REAG501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin6 / 12
ILE B 656
ALA B 676
ALA B 658
ILE B 299
LEU B 636
ALA B 639
1.77A10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		Acarbose5 / 12
GLY A1026
GLY A1028
VAL A1050
GLN C 766
GLY C 871
1.41A17.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid4 / 5
VAL C 718
LEU C 749
SER C 717
MET C 713
1.52A19.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.49A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
LEU A 963
LEU A 966
SER A 964
LEU A 978
ILE A 975
1.58A13.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		Vandetanib3 / 3
ALA B 658
GLY B 298
SER B 582
0.90A12.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q5K_A_AB1A201_2
(PROTEASE)		Lopinavir5 / 12
GLY C 873
ALA C 872
VAL A1022
GLY C 867
ILE C 878
1.27A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
TYR A 886
GLY A 871
TYR B1029
GLY A 867
VAL B1022
1.55A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_L_TFPL201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 7
GLY A1026
PHE A 782
PHE A 784
PHE A1034
1.08A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA B 885
ALA B 881
ASN C 691
ARG C1089
ILE C1115
1.13A16.08
None
None
NAG  C1324 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.18A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		Cetirizine5 / 9
ALA A 926
LEU A 803
LEU A 804
LEU A 927
LYS A 807
1.71A18.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
SER C 740
GLN C 744
PHE C 741
1.48A15.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
PHE B 782
GLN B1036
LEU B1045
VAL B1047
ILE B 704
1.68A15.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WV2_A_TPFA1_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole5 / 9
PHE A 870
TYR A 771
ALA A 866
ALA A 864
LEU A 788
1.67A16.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.64A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_P_TRPP81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 11
THR B1048
HIS B1046
ILE B 891
GLY B1026
ALA A 872
1.21A4.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.63A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		S-Adenosylmethionine5 / 12
ALA C 906
ILE C 702
ASN C 907
ILE C 704
ILE C 916
1.17A18.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Y_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.32A10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.66A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)		Hydrocortisone5 / 12
ASN A 910
GLY A 781
LEU A 776
ILE A 913
PHE A 909
1.64A11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		Menadione4 / 6
PHE C 784
GLY C 780
GLY C 781
ASN C 910
1.44A11.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YDB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 11
HIS B1030
HIS B1046
VAL B1047
PHE B 909
PHE B1034
1.37A11.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.65A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		Tofacitinib5 / 12
LEU C 681
GLY C 682
ALA B 854
ILE B 852
LEU B 847
1.34A13.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		Masoprocol5 / 7
LEU C 745
THR A 991
LEU C 986
SER C 985
THR C 988
1.66A8.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_1
(PROTEASE)		Amprenavir4 / 8
ALA C 872
VAL A1022
GLY C 867
ILE C 878
1.06A4.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline5 / 12
LEU A 986
LEU A 944
GLN C 744
ALA A 940
THR C 991
1.56A17.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 927
ALA B1038
THR B 705
ALA B 926
ILE B 916
1.43A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ILE B 656
GLY B 653
THR B 678
THR A 848
ASP A 757
1.68A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
LEU A 859
GLY A 862
LEU A1016
ALA A 864
PRO A1035
1.26A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.79A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
LEU A 963
ILE A 955
ILE A 979
ALA A 971
ILE A 962
1.03A6.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		Camphor4 / 8
LEU B 847
LEU B 846
GLY C 655
THR C 678
1.16A15.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 726
ASN C 960
GLY C 839
MET C 722
GLY A 534
1.29A12.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_G_CHDG86_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 9
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.68A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_N_TFPN201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 10
PHE B1034
GLY B1026
ILE B 916
PHE B 782
PHE B 784
1.52A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 8
PHE C 782
ASN A 691
PHE C 880
ALA C 881
1.26A17.19
None
NAG  A1325 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.70A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 8
GLY A1026
PHE A 782
PHE A 784
PHE A1034
1.14A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
HIS C1040
ALA C1037
THR C 856
PHE C 764
1.41A15.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		Gabapentin4 / 8
THR C 773
GLY C 862
THR C 863
ALA C 864
0.77A14.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)		Acetic acid4 / 4
ALA C 639
ALA C 595
ALA C 658
ALA C 676
1.37A9.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EYP_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 927
ALA B 926
LEU B 920
ALA B1038
ILE B 800
1.10A16.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Zonisamide4 / 8
LEU A 983
GLN B 984
TYR A 738
PHE A 741
1.65A16.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 9
THR B 631
ILE B 650
ALA B 639
ALA B 676
ILE B 584
1.61A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_B_BRLB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
HIS A1046
LEU A1016
VAL A 767
MET A 770
LEU A1045
1.76A12.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PHE C 782
VAL C1047
GLY C 867
PHE C1034
MET C 884
1.45A12.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_A_CHDA103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 8
ASN B 806
LEU B 803
LEU B 920
ALA B1037
1.11A1.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU C 847
VAL A 583
ILE A 652
ARG C 747
1.54A12.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 10
PHE C 741
LEU C 745
THR C 743
GLY C 739
ILE C 724
1.50A14.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN C1036
THR C 856
HIS C1040
LEU C 930
1.60A17.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B1026
GLY A 871
GLY B1028
LEU A 859
VAL A1015
PHE A1044
1.45A11.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_F_CAMF502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 4
TYR B 598
THR B 616
VAL B 307
ILE B 610
1.46A15.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 9
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.71A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		Tiotropium5 / 12
SER A1012
THR A 760
ALA A1004
ALA A1007
ASN A1005
1.56A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N4F_A_ASRA140_0
(LYSOZYME C)		Arsanilic acid3 / 3
ASN B 896
ALA C1069
ASN C1107
1.11A8.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_A_FFOA1002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin5 / 12
LEU A 859
GLY A 862
LEU A1016
ALA A 864
PRO A1035
1.31A15.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S56_B_ROCB203_1
(PROTEASE)		Saquinavir4 / 7
LEU B 283
LEU B 286
GLU B 294
ILE B 295
1.16A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 7
GLY B 751
ASN B 759
GLU B 755
GLN C 301
1.22A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 820
ASN A 838
ALA B 633
LEU A 840
LEU A 843
1.37A11.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A 943
ASN A 838
GLN C 987
ASN A 942
LEU A 840
1.57A10.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU C 986
SER C 985
TYR C 989
ARG C 982
1.37A9.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 12
GLY C 580
GLY C 579
GLN C 630
LEU B 843
ALA C 633
1.41A12.64
None
None
NAG  C1321 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.36A10.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
ARG A 977
ILE A 955
ALA A 954
LEU A 978
PHE B 551
1.51A18.84
3.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		Gabapentin4 / 8
ARG B 977
GLY A 981
GLY A 953
ALA A 954
0.93A13.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 927
ALA B 926
LEU B 920
ALA B1038
ILE B 800
1.16A16.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		Lapatinib5 / 12
ALA A 857
THR A 856
GLY A 862
PHE A1044
LEU A1045
1.42A14.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin4 / 7
VAL A 860
LEU A 788
SER A 785
PHE A 784
0.94A13.96
None
None
NAG  A1333 (-3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 9
VAL B1042
ALA B1037
ILE B 800
THR B 706
PHE B 909
1.75A17.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid3 / 3
ASN A1116
HIS A1065
VAL A1119
1.33A7.77
NAG  A1347 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Fidaxomicin5 / 12
ILE A 995
GLN A 993
THR A 716
VAL A 842
VAL A 933
1.66A23.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
LEU A 745
ILE A 995
VAL C 990
THR C 991
GLN C 744
1.55A8.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		Tacrolimus5 / 10
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.71A7.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		Trimetrexate5 / 12
ALA A1037
ILE A 800
THR A 706
ILE A 704
PHE A 909
1.48A17.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
ASP B 649
GLU B 294
TYR B 300
ILE B 584
ILE B 299
1.61A6.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0W_A_ADNA501_1
(AURORA KINASE A)		Adenosine4 / 6
LEU B 994
VAL B 990
ALA B 748
THR C 991
0.87A12.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 656
GLY B 653
THR B 678
THR A 848
ASP A 757
1.67A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid4 / 8
ALA A 858
TYR A 771
LEU A 859
GLY A 871
1.17A11.71
11.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Imatinib6 / 12
VAL B1015
LEU B 803
LEU B 920
ILE B 916
THR B 706
PHE B1034
1.74A14.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 11
TYR C 197
GLY C 100
PHE C  89
ALA C  90
ALA C  91
1.47A10.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		Acarbose4 / 8
GLY C 751
ILE C 752
ASP C 757
PRO C 845
1.35A18.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_C_MTXC2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 11
VAL C 763
ALA C1007
SER C 712
VAL C 708
ALA C1038
1.72A7.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.62A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
LEU A 749
THR A 988
GLN A 987
THR A 991
GLN B 992
1.72A15.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
GLY A 873
TYR B1029
GLY A 867
SER A1012
PHE A 870
1.58A14.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_A_CIAA1003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Tadalafil5 / 11
ILE B 702
VAL B1047
PHE B1034
ILE B 913
PHE B 880
1.52A13.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir5 / 11
GLY C 873
ALA C 872
VAL A1022
GLY C 867
ILE C 878
1.21A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		Indinavir5 / 12
GLY C 873
ALA C 874
ILE A 687
GLY C 862
ALA A 683
1.33A5.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A 852
PHE A1044
GLN A1036
SER A1012
LEU A 859
1.58A9.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		L-Histidine3 / 3
TYR C 738
GLY C 739
PHE A 952
1.64A4.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		Flurbiprofen5 / 12
VAL B 842
ILE B 752
LEU B 749
ALA B 714
LEU B 941
1.38A17.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		Maraviroc4 / 7
GLN C 992
THR C 991
THR A 991
THR C 980
1.16A15.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib3 / 3
TYR A 771
MET A 770
ILE A 852
0.86A13.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
PHE A 870
TYR A 771
ALA A 866
ALA A 864
LEU A 788
1.65A16.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		Testosterone4 / 6
TYR B 677
TYR B 646
HIS B 661
PRO B 651
1.61A14.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		Idarubicin4 / 7
LEU C1016
VAL C1015
PRO C1035
TYR C 771
1.39A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OCT_A_1N1A663_2
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib4 / 5
PHE A 888
ILE A 704
ASN A1090
PHE A 909
1.44A10.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		S-Adenosylmethionine5 / 12
PHE A1024
THR C1009
ASN C1005
ARG C1021
THR B1009
1.68A16.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		Acetic acid3 / 3
PHE C 952
ASP B 976
ARG C 977
1.35A14.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU B 898
GLY B 781
ALA B 906
ASN B 907
ILE C1112
ILE B 905
1.78A6.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HZN_G_ACTG225_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Acetic acid3 / 3
PRO A1035
LEU A1045
GLN A1036
0.95A10.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN C 947
THR C 943
THR C 991
LEU B 745
1.52A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.61A5.16
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		Dasatinib5 / 12
LEU C 986
MET C 713
ILE C 752
THR C 716
ALA C 940
1.16A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Adenosine5 / 10
ALA A 954
ILE A 975
LEU A 978
ARG A 977
ILE A 962
1.52A12.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		Peramivir3 / 3
ARG A1001
ARG B 996
ARG A 758
0.95A15.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		Tiotropium5 / 12
SER A1012
THR A 760
ALA A1004
ALA A1007
ASN A1005
1.62A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 12
ILE C 905
VAL C1047
PHE C1034
ILE C 913
PHE C 782
1.23A13.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		Benzoic Acid4 / 4
LEU B 636
ILE B 584
GLY B 634
ILE B 299
1.64A15.38
10.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.75A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.06A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.73A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		Metyrapone4 / 6
LEU A 847
ALA A 854
THR A 856
ALA A1037
1.16A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY C 892
PHE C 784
PHE C 880
GLY C 780
MET C 884
1.24A18.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 11
ALA B1062
ILE B1115
GLY B1113
ILE B1112
PRO A 879
1.53A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 12
MET B 722
THR B 743
ARG C 306
PHE C 578
GLY C 580
1.52A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4F_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
VAL C 767
ALA C 858
PHE C 870
THR C 863
1.77A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B1026
GLY A 871
GLY B1028
LEU A 859
VAL A1015
PHE A1044
1.49A11.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
LEU A 963
LEU A 966
SER A 964
LEU A 978
ILE A 975
1.58A13.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_STRA301_2
(ANCESTRAL STEROID
RECEPTOR 2)		Progesterone4 / 8
ALA B 875
PHE B 880
VAL B1047
PHE B1034
1.43A11.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		Erythromycin5 / 12
ILE A 913
ILE A 704
PHE A1034
ALA A1038
ARG A 797
1.36A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY C 580
SER B 717
ASN B 746
THR B 841
GLY C 579
1.29A11.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE B 652
ALA B 676
ILE B 650
LEU B 636
ALA B 639
LEU A 846
1.73A10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B89_B_NOVB403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		Novobiocin5 / 7
ARG B 996
LEU A 994
ALA A 997
GLN A 756
GLN B 993
1.76A11.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)		Estriol4 / 6
MET A1011
VAL A1015
LEU A1016
PHE A 870
1.20A16.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 9
ILE A 979
THR A 980
PHE A 952
GLN A 984
LEU A 983
1.38A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 10
ILE A 704
ILE A 913
PHE A 779
PRO A 774
VAL A 860
1.35A7.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL A 860
LEU A1045
ILE A 787
ILE A 800
LEU A 920
LEU A 803
1.78A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU A 745
GLY A 839
LEU A 840
VAL A 945
VAL A 990
1.41A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QB4_A_DSMA802_1
(TRANSPORTER)		Desipramine4 / 7
ILE C 905
ARG C 887
PHE C 888
ILE C 891
1.37A17.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 6
GLY B 751
ASN B 759
GLU B 755
GLN C 301
1.37A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY C 580
SER B 717
ASN B 746
THR B 841
GLY C 579
1.26A11.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.09A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
VAL B 990
LEU B 745
LEU B 983
GLN B 984
THR C 988
1.31A14.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_B_SALB900_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Salicylic acid4 / 5
VAL B1047
LEU B1045
ILE B 916
ALA B 912
1.43A17.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid3 / 3
THR A 848
PRO A 845
ASP A 757
1.47A18.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.13A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
TYR B 899
VAL C1110
ILE C1115
ILE C1063
PHE C1071
1.57A7.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole4 / 8
PHE A 870
ALA A 858
THR A 773
LEU A 788
1.25A16.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.73A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA303_1
(CHITOSANASE)		Glucosamine4 / 6
ILE B 650
ASP B 649
GLY B 587
HIS B 661
1.20A12.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ILE A 787
ALA A1037
ALA A 858
PHE A 784
PRO A 774
1.40A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole5 / 9
LEU B 804
PHE B 805
ILE B 852
ALA B 853
THR B 856
1.55A16.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		S-Adenosylmethionine5 / 12
GLY B 873
ALA B 872
TYR C1049
ALA B 875
ALA B 866
1.37A10.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.55A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 878
GLY A 862
THR A 863
GLY A 867
PRO A 774
1.36A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		S-Adenosylmethionine5 / 12
ILE A 995
GLY C 751
ALA C 997
ALA C 754
ARG C 758
1.40A14.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
PRO A 845
GLY B 655
LEU A 843
THR B 631
ALA B 633
1.37A11.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		Adenosine4 / 6
THR C 760
ASP C 757
ARG C 761
LEU C 847
1.57A17.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.77A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		Diazepam5 / 11
ILE A 787
LEU A 788
THR A 775
ASN A 783
PHE A 779
1.53A17.17
17.55
None
None
None
NAG  A1333 (-1.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		Dopamine4 / 5
GLN A 883
PHE A 880
PHE A 779
GLY A 862
1.52A11.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Salicylic acid4 / 7
VAL A 808
VAL A 708
ALA A1038
LEU A 804
1.09A17.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 12
THR B1048
HIS B1046
ILE B 891
GLY B1026
ALA A 872
1.19A4.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAC_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
GLN B 993
GLN B 756
ASP B 757
LEU B 994
ARG B 758
1.65A22.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
ALA B 676
ALA B 658
ILE B 637
GLY B 638
ALA B 595
1.75A10.68
10.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Ciprofloxacin4 / 6
PHE A 779
PHE A 782
ASN A 910
ASN B 691
1.35A23.25
None
None
None
NAG  B1324 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 11
LEU C 986
ILE C 724
ARG A 306
PHE A 578
LEU C 941
1.40A12.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		Ritonavir5 / 9
ILE B 916
LEU B 804
THR B 856
GLU B 707
GLY B1041
1.55A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLB_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		L-Tryptophan3 / 3
VAL A 860
ALA A 858
PHE A 870
1.05A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		Phenylacetic acid4 / 7
PRO B1051
ALA A 872
TYR B1029
ALA A 875
1.08A10.50
19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		Ketoconazole5 / 12
PRO B1072
LEU A 876
ALA A 866
THR A 865
GLN A 895
1.43A15.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
VAL C 763
ALA C1007
SER C 712
VAL C 708
ALA C1038
1.70A7.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		Acetic acid3 / 3
PRO B 617
ASN B 304
ARG B 306
1.53A8.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin4 / 5
ALA C 748
ALA C 997
ALA C 998
GLN A 992
1.10A11.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU B 749
ALA B 748
LEU B 994
MET B 713
1.52A11.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U14_A_0HKA2000_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		Tiotropium5 / 12
SER A1012
THR A 760
ALA A1004
ALA A1007
ASN A1005
1.54A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 11
ILE C 905
VAL C1047
PHE C1034
ILE C 913
PHE C 782
1.29A13.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUJ_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine4 / 8
PHE B 909
ILE B 702
VAL B1047
MET B1032
1.08A8.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NHX_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 12
ASP C 274
PHE C 293
PHE C  62
VAL C  40
PHE C 213
1.42A7.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.65A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)		Riboflavin5 / 12
PHE B1077
ALA B1062
ALA B1069
GLY B1067
VAL B1119
1.21A16.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4H_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
VAL C 767
ALA C 858
PHE C 870
THR C 863
1.77A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine5 / 12
VAL B 860
LEU B 804
LEU B 920
ILE B 800
ILE B 913
1.02A9.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		Norethisterone5 / 12
LEU B 745
LEU B 749
ASN B 746
LEU B 944
LEU B 840
1.14A11.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		S-Adenosylmethionine5 / 12
HIS C1030
GLY C1028
GLY C1026
HIS C1046
ASN C 910
1.43A13.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.29A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		Benzoic Acid5 / 11
VAL A 893
VAL A 897
PHE A 888
ILE A 702
ILE A 905
1.35A10.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4S0V_A_SUVA2001_1
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		Suvorexant5 / 12
GLN C 987
THR C 988
VAL C 990
GLN B 987
ILE A 995
1.50A17.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 10
TYR A 723
ILE A 724
LEU A 959
VAL A 958
LEU A 978
1.66A14.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UPF_B_URFB999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 7
ALA B1062
TYR B1070
ILE B1063
ILE B1097
1.18A11.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		S-Adenosylmethionine5 / 12
GLY C 871
TYR C 886
VAL A 893
GLY A1028
LEU C1016
1.55A12.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
LYS C 911
ILE C 702
THR C 706
1.52A8.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 6
SER B 712
VAL B 711
GLY B1041
LEU B 930
GLU B 707
1.74A14.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_A_CHDA506_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
PRO A 540
LEU A 571
ILE A 570
ARG A 563
1.55A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.32A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		Benzoic Acid5 / 12
PHE C 741
LEU C 745
LEU C 749
VAL C 990
GLN A 992
1.51A15.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.07A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Bosutinib5 / 12
LEU B 846
GLY C 653
LEU C 681
ALA B 854
ASP B 850
1.45A13.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA A 926
LEU A 927
LEU A 920
LEU A 803
SER A 798
1.35A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.71A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Lenvatinib5 / 12
LEU A 840
GLY A 839
VAL A 718
VAL A 990
PHE A 741
1.26A13.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BUR_A_TESA339_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		Testosterone5 / 10
ILE A 621
THR A 302
SER A 303
VAL A 581
VAL A 583
1.58A13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN B1005
GLU B 999
ILE B 995
ILE C 995
GLN A 992
1.54A10.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		L-Histidine5 / 12
ARG C 887
TYR A1029
GLY C 871
GLY C 873
ALA C 866
1.50A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W1B_A_DXCA2034_0
(ACRIFLAVIN
RESISTANCE PROTEIN B)		Deoxycholic Acid3 / 3
PHE A 909
SER A 785
LEU A 788
1.26A23.25
None
NAG  A1333 (-3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.78A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
ASN A 530
ILE A 570
LEU A 532
PHE A 551
1.22A14.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_A_CHDA701_0
(FERROCHELATASE)		Cholic Acid4 / 8
MET B1011
LEU B 859
VAL B 711
GLY B1041
1.24A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.10A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO A 540
LEU A 571
ARG A 315
1.51A14.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
ALA C1002
ARG C1021
MET C 709
ASN C1005
VAL C 711
1.63A7.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
GLY B 867
GLY B 862
SER B1012
VAL B 767
ALA B 872
1.35A11.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
THR B 631
GLY B 653
PHE B 629
THR B 678
1.32A8.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.62A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E06_A_IPBA600_0
(ODORANT-BINDING
PROTEIN)		Thymol4 / 6
VAL B1047
MET B1032
ASN B 910
ILE B 787
1.39A7.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		Montelukast5 / 12
SER A 712
THR A 760
ASN A 937
VAL A1042
ALA A1037
1.52A16.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		Quinine5 / 9
PHE B1044
LEU B1016
THR B1009
VAL B 763
VAL B1042
1.54A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
TYR C 738
LEU C 736
LEU C 735
ALA C 732
1.41A15.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY A1026
GLY A1028
VAL A1050
GLN C 766
GLY C 871
1.40A17.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 871
GLY C 873
PRO A1051
ALA C 866
TRP C 868
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA C 875
GLY C 871
ALA C 857
PHE C 870
TYR C 771
1.56A11.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin4 / 6
ARG C1089
LEU B 876
GLY B 867
PRO C 697
1.49A11.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		Aciclovir4 / 8
TYR C 300
ARG B 761
ARG B 758
ASP B 757
1.01A12.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		Pantothenic acid4 / 8
ARG A1001
VAL B 933
GLN B 936
ARG A 758
1.61A11.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		Imipramine4 / 5
ARG B 761
ALA B 765
TYR B 855
ILE B 852
1.66A13.87
10.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate4 / 5
TYR C 738
GLN C 737
GLY C 726
ILE C 724
1.59A12.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 978
GLY A 953
ILE A 724
SER A 985
LEU A 983
1.57A14.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
VAL A1015
PHE A1034
SER A 798
GLY A 862
ALA A 864
1.52A22.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUV_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 12
PHE A1034
LEU A1031
PHE A 888
ALA A 864
PHE A 880
1.75A7.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Progesterone5 / 9
ALA B 676
GLY B 638
ALA B 595
SER B 582
ILE B 652
1.41A17.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		Saquinavir5 / 11
GLY B 634
ALA B 633
GLY B 580
GLY B 579
THR A 841
1.41A7.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
ARG C1001
ILE C1000
THR C 991
ARG A 996
1.20A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		Nimesulide4 / 7
GLN A 939
GLU A 999
ARG A 996
PRO A 710
1.65A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY C 892
PHE C 784
PHE C 880
GLY C 780
MET C 884
1.25A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_A_Y00A406_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine4 / 6
GLY B1026
PHE B1034
PHE B 909
PHE B 782
1.22A13.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 840
TYR A 723
GLY A 726
0.84A14.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.57A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS1_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol3 / 3
VAL A 860
ALA A 858
PHE A 870
1.06A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.74A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
GLY A 871
PHE A 870
MET A1011
ALA A1008
VAL A 763
1.50A12.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir5 / 12
GLY C 873
ALA C 872
VAL A1022
GLY C 867
ILE C 878
1.21A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLP_A_TESA1921_1
(ANDROGEN RECEPTOR)		Testosterone5 / 11
LEU A 788
MET A1011
ARG A 887
LEU A 859
THR A 856
1.75A11.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
PHE A 870
TYR A 771
ALA A 866
ALA A 864
LEU A 788
1.79A16.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JMN_C_FUAC1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid3 / 3
VAL A 708
HIS A1040
VAL A 933
1.22A23.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 8
LEU B 983
GLN B 984
THR C 988
VAL B 990
LEU B 745
1.43A14.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
GLY C1041
VAL C 711
ALA C1004
THR C 856
MET C1011
1.58A12.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
ASN C 783
MET C 884
PHE C 909
1.15A15.66
NAG  C1328 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		Calcitriol5 / 9
THR A 716
VAL A 945
SER A 949
ILE A 724
GLY A 820
1.61A15.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		Adenosine5 / 10
THR A 716
VAL A 842
ALA A 940
ALA A 938
GLN A 818
1.48A14.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A 649
PRO A 651
GLY A 298
SER A 582
TYR A 300
1.69A12.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.52A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_B_TFPB201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 8
GLY B1026
ILE B 916
PHE B 782
PHE B 784
PHE B1034
1.58A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E73_M_ASCM995_0
(MYROSINASE MA1)		Vitamin C4 / 6
ILE C 979
TYR C 738
PHE C 741
PHE A 952
1.47A16.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)		Pyridoxal4 / 8
VAL A 933
VAL A 708
HIS A1040
VAL A 934
1.29A13.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
GLY A 653
ILE A 656
THR A 631
VAL A 596
VAL A 583
ILE A 299
1.58A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
GLY B 890
HIS B1030
SER B 703
ILE B 702
PHE B 909
1.58A12.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.15A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		Nevirapine4 / 8
LEU A 944
VAL A 718
GLY A 839
TYR A 989
1.51A18.45
15.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
VAL C 763
ALA C1007
SER C 712
VAL C 708
ALA C1038
1.76A7.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
ILE C 704
LEU C1045
VAL C1043
0.92A3.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA C 754
GLN A 992
LEU C 994
SER C 750
ARG A 996
1.55A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D20_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
GLY C 873
ALA C 872
VAL A1022
GLY C 867
ILE C 878
1.21A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		Acetaminophen4 / 7
LEU B 636
THR B 631
GLY B 653
ALA B 633
0.85A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
GLY B1026
ILE B 916
PHE B 782
PHE B 784
PHE B1034
1.53A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
LEU A 920
VAL A1047
HIS A1046
LEU A 930
ALA A1038
1.52A10.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		S-Adenosylmethionine5 / 12
TYR C1029
ALA B 874
ASN C 699
PRO C 697
LEU B 876
1.20A14.84
None
None
NAG  C1326 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		Benzoic Acid4 / 6
VAL B 860
THR B 863
LEU B 859
PHE B1034
1.47A8.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GGU_B_017B201_1
(PROTEASE)		Darunavir5 / 12
LEU A1045
ALA A1038
VAL A 708
THR A 706
VAL A1043
1.26A7.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		Adenosine5 / 11
ALA A 875
GLY A1017
GLY A 873
TYR B1029
VAL B1022
1.61A17.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.33A10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 7
THR A 856
LYS A 807
GLN A 931
LEU A 930
1.30A17.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 8
THR A 585
ILE A 295
VAL A 290
THR A 302
1.22A19.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Acetic acid4 / 6
LEU A1045
GLN A1036
LEU A 804
LEU A 920
1.48A11.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 11
LEU A1016
GLY A 871
PHE A 870
MET A1011
ALA A1008
1.63A13.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_D_SALD1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 12
THR A 863
GLY A 862
GLY A 871
LEU A1016
PRO A1035
1.51A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 8
ILE C 962
ASN C 721
LEU C 978
LEU C 983
LEU C 735
1.76A13.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		Acarbose5 / 12
ALA A 633
GLY A 653
ALA C 753
ILE C1000
HIS C1040
1.32A17.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		Paromomycin5 / 12
PHE A 784
PHE A 779
THR A 863
TYR A 771
GLY A 862
1.66A14.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
VAL C 808
VAL C 708
ALA C1007
ASN C 935
VAL C 933
1.26A17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
PHE B 305
GLY B 580
SER A 717
THR A 841
1.62A10.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AK3_A_P2EA1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone4 / 4
PRO A1035
MET A 770
GLY B 682
VAL A 767
1.73A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A201_2
(POL POLYPROTEIN)		Darunavir5 / 9
ALA B1062
ILE B1115
GLY B1113
ILE B1112
PRO A 879
1.58A6.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil4 / 8
GLY B1075
GLN A 895
ILE B1086
VAL B1076
1.38A12.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 10
VAL A1015
PHE A1034
SER A 798
GLY A 862
ALA A 864
1.41A22.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YBN_A_ACTA303_0
(FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN)		Acetic acid3 / 3
VAL B 767
TYR B 855
ALA B 858
0.78A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin5 / 12
PHE A 888
VAL A1047
ILE A 913
GLY A 781
GLY A 780
1.34A17.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		Adenosine5 / 12
LEU A 859
ALA A 765
ILE A 852
PRO A1035
VAL A1042
1.37A12.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid4 / 5
SER B 717
LEU B 944
LEU B 941
LEU B 986
1.28A18.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_1
(PROTEASE)		Amprenavir5 / 9
ALA B 676
ILE B 650
GLY B 638
ILE B 637
ILE B 652
1.46A6.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Digoxin5 / 12
LEU A 930
ALA A1004
MET A 713
VAL A 933
LEU A 994
1.58A10.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY C 892
PHE C 784
PHE C 880
GLY C 781
MET C 884
1.24A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 9
PHE C 784
PHE C 880
GLY C 780
LEU C 898
MET C 884
1.61A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL C1043
VAL C 708
THR C 856
THR C 706
1.55A7.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		L-Histidine5 / 11
ARG C 887
TYR A1029
GLY C 871
GLY C 873
ALA C 866
1.52A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 6
GLY A 780
GLY A 781
ASN A 910
ILE B1112
1.10A11.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_N_CHDN1604_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.66A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIN_A_TFPA153_1
(CALMODULIN)		Trifluoperazine5 / 8
LEU B 847
MET B 851
ILE B 852
ALA B 854
MET B 770
1.40A7.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Epirubicin5 / 12
GLY A 780
GLY A 781
ASN A 910
ILE B1112
PHE A 909
1.51A11.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4I_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol3 / 3
VAL A 860
ALA A 858
PHE A 870
1.03A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.70A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_1
(POL POLYPROTEIN)		Amprenavir5 / 11
LEU B1045
ALA B1038
VAL B 708
THR B 706
VAL B1043
1.25A5.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
PHE B 782
THR B 894
VAL B 893
LEU B1031
ILE B 905
1.45A8.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		Adenosine5 / 12
GLY B 655
GLY B 653
ALA B 658
LEU B 636
ASP A 757
1.40A14.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
ALA A 866
THR A 863
ALA A 872
GLY A 871
ALA A 875
1.53A11.90
9.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 927
GLY B 928
VAL B 808
ALA B1038
VAL B1042
1.64A12.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.62A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.77A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.54A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		Adenosine5 / 11
VAL C 711
GLY C1041
VAL C1042
ALA C1007
MET C1011
1.19A13.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q72_A_IXXA802_1
(TRANSPORTER)		Imipramine4 / 6
ILE A 955
SER A 956
ARG A 982
ILE A 979
1.43A17.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY C 892
PHE C 784
PHE C 880
GLY C 780
MET C 884
1.20A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime5 / 12
GLY C 580
SER B 717
ASN B 746
THR B 841
GLY C 579
1.28A11.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXD_A_ZITA501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		Azithromycin4 / 7
TYR C 886
ALA C 872
GLY A1028
TYR A1049
1.20A12.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		Ampicillin5 / 12
GLN A 987
TYR A 723
LEU A 986
PHE A 741
ALA A 748
1.70A12.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU B 803
LEU B1045
PHE B 799
1.05A14.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.15A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECT_A_SAMA1300_1
(STIE PROTEIN)		S-Adenosylmethionine4 / 5
THR C 943
ARG B 747
THR B 991
GLN B 987
1.48A13.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir4 / 7
ARG A 761
LEU A 847
ALA A 854
VAL A 860
1.45A7.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ILE B 878
ALA B 864
ILE B 905
LEU B 898
THR B 865
1.62A9.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY C 580
SER B 717
ASN B 746
THR B 841
GLY C 579
1.26A11.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine5 / 9
GLY A 820
VAL A 842
ALA A 714
ASN A 838
LEU A 941
1.78A13.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)		Rifabutin5 / 12
PRO B1072
VAL A 893
PHE A 782
PHE A 880
PHE A 888
1.51A19.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.76A9.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.67A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 5
PHE A 764
THR A 856
LEU B 681
ALA A 765
1.62A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.72A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ALA A 654
GLY A 655
ILE A 652
MET A 679
GLY A 634
1.43A11.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
ILE A 752
GLN A 987
THR A 991
LEU B 944
THR B 943
1.51A7.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		Betamethasone4 / 6
LEU B1045
LEU B 788
THR B 863
VAL B1015
0.90A11.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus4 / 8
TYR B 899
VAL C1110
ILE C1063
PHE C1071
1.39A9.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOP_D_HQED503_1
(CATALASE)		Hydroquinone5 / 9
ILE A 787
PRO A1035
LEU A 788
LEU A 859
PHE A 870
1.76A15.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)		Glyburide5 / 9
ILE B 584
LEU B 636
THR B 631
ILE B 656
GLY B 653
1.27A17.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 12
LEU C 735
GLY C 726
TYR C 723
ILE C 724
ARG C 982
1.47A13.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
ARG C1001
ILE C1000
THR C 991
ARG A 996
1.28A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
GLN A1036
ALA A 853
ILE A 852
ILE A 800
LEU A 804
1.55A14.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.50A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L4D_B_TPFB490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 9
PHE A 870
TYR A 771
ALA A 866
ALA A 864
LEU A 788
1.65A16.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
TYR A 886
GLY A 871
TYR B1029
GLY A 867
VAL B1022
1.54A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACL_E_REAE504_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 11
ALA B 885
ALA B 881
ASN C 691
ARG C1089
ILE C1115
0.86A10.17
None
None
NAG  C1324 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU C 986
SER C 985
TYR C 989
ARG C 982
1.36A9.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		Aminosalicylic Acid5 / 10
GLY A 839
VAL A 718
LEU A 986
TYR A 989
LEU A 944
1.50A15.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_G_TFPG201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
PHE B1034
GLY B1026
ILE B 916
PHE B 782
PHE B 784
1.47A5.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)		Pilocarpine5 / 9
PHE A 888
PHE A 700
VAL A 897
ASN A 901
ILE A 905
1.62A17.02
None
None
None
NAG  A1330 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 5
GLY C 862
ILE A 687
VAL C 767
SER A 685
1.49A15.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 7
TYR B 989
GLY B 751
ALA B 748
LEU B 994
1.28A15.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		Benzoic Acid4 / 7
ALA C 864
THR C 863
ALA C 866
TYR C 771
1.16A8.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.13A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BNN_B_FCNB1199_1
(EPOXIDASE)		Fosfomycin4 / 8
TYR A 819
LEU A 941
HIS A1040
ALA A 938
1.44A10.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 9
ALA B 633
LEU A 843
SER A 750
ILE B 299
THR B 631
1.54A9.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
LYS A1027
VAL A1050
1.60A12.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGN_A_PCFA1179_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
LEU B 776
ILE B 787
LEU B1045
MET B1032
ILE B 704
1.36A8.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		Erlotinib3 / 3
SER B 703
SER B 701
ALA A 874
1.11A17.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.75A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O7G_B_ASCB304_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		Vitamin C4 / 6
PHE A 782
ILE A 702
PHE A 888
ASN A 901
1.75A11.01
None
None
None
NAG  A1330 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 9
GLY B 862
LEU B1031
ILE B 878
PHE B 888
ILE B 905
1.27A21.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)		Adenosine4 / 6
VAL B 763
LEU B1016
THR B 856
LEU B 859
1.17A12.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 8
THR C 760
GLY C1041
THR C 856
ILE C 852
1.30A11.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_B_EY4B500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 6
VAL B 307
PRO B 575
ALA B 609
THR B 608
1.21A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_2
(PROTEASE)		Saquinavir5 / 9
ALA B1062
ILE B1115
GLY B1113
ILE B1112
PRO A 879
1.51A6.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 874
LEU A 876
ALA A 875
VAL B 893
ILE B 891
1.32A10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 787
ALA A 857
PHE A1034
THR A 865
ARG A 887
1.59A9.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib4 / 5
LEU A 983
VAL C 990
LEU C 994
ARG C 747
1.46A11.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_A_H3PA552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene4 / 6
ILE B 702
LYS B 911
ILE B 704
HIS B1030
1.75A18.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		L-Histidine5 / 12
ARG C 887
TYR A1029
GLY C 871
GLY C 873
ALA C 866
1.58A15.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G10_A_ACTA301_0
(GLUTATHIONE
S-TRANSFERASE
HOMOLOG)		Acetic acid4 / 6
PRO A  43
TYR A 266
TYR A  42
PHE B 548
1.48A11.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		Ethopropazine4 / 8
GLN A 984
SER B 985
PHE B 741
TYR B 738
1.41A18.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 9
LEU A 930
ILE C 752
LEU C 994
ILE A 995
MET A 713
1.50A14.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_D_DEXD4999_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN C 910
GLY C 781
PHE C 880
MET C 884
ILE C 913
1.36A12.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_A_VDYA201_1
(CDL2.2)		Calcidiol5 / 12
LEU B 788
PHE B 784
THR B 865
ALA B 866
LEU B1016
1.73A7.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		Itraconazole5 / 12
ALA A 906
PHE A 870
ALA A 858
THR A 773
LEU A 788
1.45A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.12A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir4 / 8
GLY A 638
ALA A 639
PRO A 586
THR A 585
1.10A5.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB3_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ILE A 787
ALA A1037
ALA A 858
PHE A 784
PRO A 774
1.47A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL B 642
ARG A 761
PRO B 651
1.32A17.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ILE B 687
ALA A 864
LEU A 788
PRO A 791
THR A 863
1.65A9.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Epirubicin5 / 11
PHE A 909
GLY A 780
GLY A 781
ASN A 910
ILE B1112
1.60A11.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XMF_A_HSMA202_1
(NITROPHORIN-7)		Histamine3 / 3
ASP B 976
LEU B 983
GLY B 981
1.00A10.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		Acetic acid4 / 6
VAL A 581
TYR A 300
VAL A 583
SER A 303
1.43A17.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A 959
VAL A 958
SER A 956
SER A 964
LEU B 532
1.60A11.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Rifampicin5 / 12
PHE A 764
PHE A1034
PHE A1044
GLY A 862
LEU A1016
1.59A23.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		Acarbose5 / 12
ASN C 691
ILE B 913
ILE B 787
PHE B 880
ALA B 881
1.25A21.81
NAG  C1324 (-1.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.65A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.71A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		Clotrimazole4 / 5
LEU B 840
ALA B 714
VAL B 990
ILE B 752
1.37A16.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
LEU B 788
PHE B1034
SER B1033
PHE B 870
ARG B 887
1.37A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime5 / 12
GLY C 580
SER B 717
ASN B 746
THR B 841
GLY C 579
1.27A11.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMM_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
PRO B 710
SER B1003
VAL B 934
MET B 713
1.57A14.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 11
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.74A9.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.67A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZW_A_SAMA1451_0
(WBDD)		S-Adenosylmethionine5 / 12
GLN A 974
ALA A 954
GLN C 737
ASN A 951
VAL C 973
1.54A17.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCP_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 10
LEU A 959
ILE A 962
ARG A 965
SER A 985
GLY A 953
1.37A14.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Ibuprofen4 / 8
TYR C1029
VAL C1050
TYR C1049
LEU B 876
1.38A13.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_B_CHDB4085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.62A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 12
SER C 712
VAL C 711
PRO C1039
PHE C 805
MET C1011
1.58A14.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_V_BO2V303_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
ALA A 866
THR A 863
ALA A 872
GLY A 871
ALA A 875
1.54A11.90
9.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.09A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_2
(CYTOCHROME P450 3A5)		Ritonavir4 / 5
ARG A 982
PHE C 741
PHE A 952
LEU A 944
1.62A17.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.63A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 11
LEU C 735
GLY C 726
TYR C 723
ILE C 724
ARG C 982
1.47A13.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole5 / 12
GLY C 892
PHE C 784
PHE C 880
GLY C 780
MET C 884
1.16A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)		Bifonazole5 / 8
GLN A1036
LEU A1045
LEU A 788
VAL A 860
VAL A1047
1.68A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 703
THR C 705
THR C1048
GLY C1028
GLY B 873
1.55A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 10
VAL A 990
GLN A 992
ILE B 995
LEU B 994
ILE B 752
1.46A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.73A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ALA A 654
GLY A 655
ILE A 652
MET A 679
GLY A 634
1.44A11.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A1037
THR A 760
VAL A 763
PRO A1039
PHE A 805
1.49A16.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole5 / 12
GLY C 892
PHE C 784
PHE C 880
GLY C 780
MET C 884
1.18A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
LEU B 804
LEU B 930
ALA B1038
VAL B 860
THR B 856
1.33A8.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IAK_A_EV1A415_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Papaverine5 / 9
ASN C 783
PHE C 880
MET C 884
PHE C 909
ILE C 704
1.33A14.37
NAG  C1328 (-1.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.77A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.33A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		S-Adenosylmethionine5 / 12
THR B 706
ILE B 702
PHE B 700
HIS B1030
ILE B 891
1.40A15.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		Diphenhydramine5 / 12
PHE B 952
TYR A 738
GLN C 984
TYR B 723
PHE A 741
1.62A13.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		Cholecalciferol5 / 12
LEU A 978
LEU A 963
ILE A 962
ALA A 971
LEU A 734
1.28A15.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.67A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)		Ivermectin5 / 11
LEU C 745
ASN C 721
ARG C 982
SER C 985
LEU C 994
1.67A9.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 10
ALA B 885
ALA B 881
ASN C 691
ARG C1089
ILE C1115
0.95A10.17
None
None
NAG  C1324 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZSE_A_PAUA600_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 7
MET B1032
PHE B1034
ILE B 913
ASN B 910
1.10A12.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA C1069
ALA C1062
ILE C1112
PHE C1071
LEU B 898
1.49A11.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U9U_A_ACTA1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)		Acetic acid4 / 5
ARG A 977
GLY A 953
ALA A 954
GLY A 981
1.21A12.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.72A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.59A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.64A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.64A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 12
ALA B 633
LEU A 843
SER A 750
ILE B 299
THR B 631
1.36A10.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
TYR C  63
PHE C  62
VAL C  40
GLY C 212
1.27A10.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		Vorinostat5 / 11
LEU B1006
HIS B1030
PHE B1024
HIS B1046
PHE B1044
1.73A14.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_B_CHDB304_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.56A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid4 / 7
PRO B1039
PHE B 764
ILE B 852
PRO B 710
1.04A10.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 8
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.13A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.67A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.73A6.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)		Adenosine5 / 9
ASN A 304
GLY A 580
GLY A 579
PHE A 578
ASP C 719
1.80A18.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
THR B 760
ILE B1000
GLY B1041
ALA B1004
ALA B1037
1.18A11.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_C_TPFC2471_1
(CYTOCHROME P450 121)		Fluconazole4 / 8
THR B 991
VAL B 990
ASN B 746
GLN C 992
1.06A16.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.22A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZV_B_AZMB263_1
(CARBONIC ANHYDRASE
13)		Acetazolamide5 / 10
HIS A1030
VAL B1022
LEU A1016
VAL A1015
TRP A 868
1.69A11.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_G_CHDG101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.70A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU B 749
LEU B 745
ALA B 748
LEU B 994
TYR B 989
1.44A10.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.74A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
HIS C1040
ILE C 852
PHE C 805
ALA C1038
ALA C1037
1.28A10.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 10
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.80A6.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid3 / 3
GLY C1028
GLY C1026
THR C 705
0.93A12.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.35A10.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
ILE B 913
ILE B 704
VAL B1047
PHE B1044
LEU B 920
1.48A7.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 9
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.61A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		Econazole5 / 12
ASP C 757
PRO C 845
PRO C 844
GLY A 655
THR A 678
1.66A14.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 596
VAL A 583
GLN A 301
0.75A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 10
LEU B 994
ALA B 997
ILE B 752
ALA B 940
LEU B 944
1.52A14.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)		Adenosine5 / 12
ALA A 864
VAL A 860
LEU A 788
PHE A1034
ILE A 913
1.54A16.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.64A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.36A13.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 10
GLY A 298
THR A 585
ILE A 295
SER A 591
ALA A 590
1.45A4.87
None
None
None
None
NAG  A1321 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
VAL A1047
ILE A 787
VAL A 860
LEU A 859
LEU A1045
1.41A18.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UYM_A_VORA590_1
(14-ALPHA STEROL
DEMETHYLASE)		Voriconazole4 / 7
PHE A 880
SER A1033
ILE A 704
PHE A1034
1.32A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		Amiodarone4 / 5
PHE A 779
PHE A 880
LEU A 859
PRO A1035
1.73A12.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP9_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		Vitamin C5 / 12
ILE B1112
GLN A 902
ALA B1069
PHE B1071
MET A 882
1.79A16.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_B_SAMB401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 871
GLY C 873
PRO A1051
ALA C 866
TRP C 868
1.57A13.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 638
GLY B 625
ALA B 676
THR B 631
LEU B 636
1.44A10.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		Tacrolimus5 / 11
ASP C 757
ARG C 761
VAL C 711
ILE C1000
ILE C 752
1.76A6.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.66A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 7
ALA B 864
THR B 865
TYR C 689
PRO B 791
1.16A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.60A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NM5_B_LOCB502_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B 927
ALA B 926
LEU B 920
ALA B1038
ILE B 800
1.13A16.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_O_CHDO301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.68A5.07
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OLD_B_IPHB2001_0
(BENCE JONES KWR
PROTEIN -
IMMUNOGLOBULIN LIGHT
CHAIN)		Phenol4 / 7
TYR C  42
PRO C  43
TYR C 266
TYR C  53
1.45A12.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib4 / 7
VAL A1015
ILE A 787
ALA A 857
ILE A 800
1.27A13.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		S-Adenosylmethionine5 / 12
TYR C 689
GLY B 780
ALA B 864
LEU B 898
ASN C 691
1.40A15.60
None
None
None
None
NAG  C1324 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A 805
ILE A 852
THR A 706
LEU A 927
LEU A 930
1.71A8.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_B_4TXB201_1
(TRANSTHYRETIN)		Gemfibrozil5 / 7
LEU C 745
THR A 991
LEU C 986
SER C 985
THR C 988
1.72A7.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU A 749
LEU A 745
LEU A 983
LEU A 944
TYR A 989
1.39A11.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		Nilotinib5 / 12
LEU B 803
LEU B 920
ILE B 916
THR B 706
PHE B1034
1.43A14.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_A_PARA500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		Paromomycin5 / 10
PHE A 784
PHE A 779
THR A 863
TYR A 771
GLY A 862
1.68A14.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_A_ACTA4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid4 / 4
LEU B 846
GLY C 653
GLY C 655
THR C 678
1.64A12.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		Carvedilol5 / 12
VAL A 897
VAL A 893
SER A1093
PHE A 700
ASN A 699
1.63A13.36
None
None
None
None
NAG  A1330 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 12
GLY B1026
ALA A 872
THR B1048
HIS B1046
ILE B 891
1.23A4.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 11
THR C 706
VAL C1015
LEU C 859
GLN C1036
THR C 856
1.70A7.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)		Testosterone4 / 8
VAL A1043
LEU A 920
PRO A1039
VAL A 808
1.24A14.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
GLN A 301
ILE A 652
SER C 750
TYR A 300
1.71A11.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.68A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F3T_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A1034
VAL A 860
ALA A 864
PHE A 870
1.73A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		Montelukast5 / 8
ILE A 800
ILE A 787
ILE A 916
VAL A 860
ALA A 864
1.35A16.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_A_017A200_2
(FIV PROTEASE)		Darunavir5 / 10
LEU B 927
VAL B 933
ILE B 852
VAL B 808
LEU B 930
1.29A6.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_B_SVRB512_2
(PHOSPHOLIPASE A2)		Suramin4 / 7
VAL A 583
ILE A 652
GLY A 653
ARG C 761
1.22A7.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 10
LEU A1016
GLY A 871
PHE A 870
MET A1011
ALA A1008
1.63A13.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
THR A 991
LEU A 994
ARG A 996
GLN A 936
VAL C 990
1.78A17.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
GLN A 756
LEU A1006
ARG A1001
ILE A1000
1.48A19.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		Midazolam4 / 7
SER A 728
LEU A 963
ILE A 955
LEU A 966
1.09A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		Vitamin E5 / 12
VAL A 990
ILE B 995
ILE A 995
VAL A 933
ILE A1000
1.32A11.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 12
PHE B 952
GLN B 984
LEU B 986
THR B 988
LEU B 944
1.33A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		Suramin5 / 12
LEU A1031
GLY A 890
GLY A 892
ARG A1089
PRO A1051
1.75A6.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		Peramivir3 / 3
ARG A1001
ARG B 996
ARG A 758
0.94A15.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)		Riboflavin5 / 12
PHE B1077
ALA B1062
ALA B1069
GLY B1067
VAL B1119
1.23A16.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		L-Valine3 / 3
PHE B 880
ARG B 887
ALA B 866
1.58A13.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil4 / 8
GLY B1075
GLN A 895
ILE B1086
VAL B1076
1.40A11.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAQ_A_2GMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Dihydroergotamine5 / 12
VAL C1043
ALA C 853
PHE C 764
MET C1011
LEU C1006
1.58A15.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1478_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 7
GLY A 867
THR A 865
SER A1033
PHE A1034
1.24A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
LEU A 749
THR A 988
GLN A 987
THR A 991
GLN B 992
1.74A15.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		Suramin5 / 12
VAL A 860
LEU A 859
GLY A 862
ILE B 687
PHE A 880
1.55A7.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 6
LEU C 920
ASP C 802
ILE C 704
PRO C 789
1.25A11.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		Cholecalciferol4 / 5
ASP B 757
LEU B 846
MET B 851
ARG B 761
1.55A8.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole4 / 5
VAL A 934
ILE B 650
PRO A 845
THR B 631
1.38A18.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 8
ARG A 982
LEU A 978
ALA A 971
VAL A 958
ILE A 962
1.56A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDK_A_C2FA1410_0
(GLYCINE
N-METHYLTRANSFERASE)		Levomefolic acid5 / 11
THR A 894
LEU A 898
SER B1105
TYR A 899
MET A 882
1.72A12.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_H_FUAH709_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid6 / 12
THR C 856
PHE C1044
PHE C 870
LEU C1016
VAL C1015
ALA C1008
1.68A10.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_B_ECNB1406_1
(CYTOCHROME P450 130)		Econazole5 / 11
PRO A 710
MET A 709
GLY A 928
LEU A 804
VAL A 808
1.32A14.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU A 963
ASN A 960
SER A 956
LEU A 978
SER A 728
1.68A18.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_X_BEZX801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		Benzoic Acid4 / 5
ARG A 982
GLY A 839
ILE A 724
LEU A 840
1.43A10.58
15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir6 / 11
GLY A 953
ALA A 954
ILE A 975
ILE A 979
GLY A 981
VAL A 958
1.77A6.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQG_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		Nicotinamide3 / 3
PHE C 880
PHE C 782
PHE C 909
1.32A14.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.63A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
PHE A 784
PHE A 880
ASN A 783
GLY A 781
1.24A17.02
None
None
NAG  A1333 (-1.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		Diflunisal4 / 6
LEU B1045
SER B1033
THR B1048
VAL B1050
1.42A7.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene4 / 7
LYS B 911
ILE B 704
HIS B1030
ILE B 702
1.74A18.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_B_CHDB1086_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.61A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Nimesulide4 / 5
LEU A1045
ALA A 912
ILE A 913
SER A 914
1.24A7.40
None
None
None
NAG  A1333 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		Abiraterone4 / 7
ALA A 658
GLY A 638
ALA A 595
SER A 582
1.08A15.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.61A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RJD_B_TFPB203_1
(CALMODULIN)		Trifluoperazine4 / 7
LEU B 847
MET B 851
ALA B 854
MET B 770
1.42A4.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.65A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU B 927
VAL B 708
ILE B 800
LEU B 920
ILE B 913
1.64A13.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		Ixazomib5 / 11
ALA A 866
THR A 863
ALA A 872
GLY A 871
ALA A 875
1.57A11.90
9.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_T_TRPT81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 298
THR A 585
ILE A 295
SER A 591
ALA A 590
1.46A4.87
None
None
None
None
NAG  A1321 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0R_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine5 / 12
VAL B 860
LEU B 804
LEU B 920
ILE B 800
ILE B 913
1.04A8.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OD9_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		Nicotinamide3 / 3
PHE C 880
PHE C 782
PHE C 909
1.32A14.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 12
LEU B 927
ALA B1038
THR B 856
ILE B 916
LEU B 920
1.32A8.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		Cefepime5 / 12
ASN B 721
SER B 717
ASN B 746
THR B 841
GLY C 580
1.37A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		Adenosine3 / 3
PHE C1079
ASN C1080
PHE C1085
1.37A12.44
None
NAG  C1336 (-1.8A)
NAG  C1336 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
MET B1011
LEU B 859
VAL B 711
GLY B1041
1.12A14.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
ILE A 704
ALA C 854
ALA C 858
THR C 863
LEU C1016
1.64A16.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TDM_A_ADNA904_1
(ATP-CITRATE SYNTHASE)		Adenosine4 / 4
THR C 760
ASP C 757
ARG C 761
LEU C 847
1.62A17.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B 927
ALA B 926
LEU B 920
ALA B1038
ILE B 800
1.11A16.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_D_EY4D500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 7
VAL B 307
PRO B 575
ALA B 609
THR B 608
1.18A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 11
ILE A 979
THR A 980
PHE A 952
LEU A 983
TYR A 723
1.47A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		Penicillamine4 / 6
LYS A 946
LEU A 944
LYS A 818
LEU A 840
1.73A2.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_B_CHDB4085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		Cholic Acid5 / 10
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.65A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		Amsacrine4 / 6
PRO C 697
GLY B 867
ALA B 874
GLN B1018
1.29A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
GLY A 653
ILE A 656
THR A 631
VAL A 596
VAL A 583
ILE A 299
1.57A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLU C 707
THR C 706
THR C 705
ARG B1001
ARG B 758
1.72A17.51
11.00
5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_G_CHDG1085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
ARG B1001
ARG B 758
GLU C 707
THR C 706
THR C 705
1.65A5.83
17.51
11.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
THR B 631
GLY B 653
PHE B 629
THR B 678
1.30A8.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_1
(PROTEASE)		Darunavir5 / 12
GLY A 873
ALA A 872
VAL B1022
GLY A 867
ILE A 878
1.19A5.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid4 / 7
ILE B 905
LEU B 898
THR B1048
LEU B1031
1.11A17.51
3.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OQR_A_2UOA502_1
(CYP105AS1)		Mevastatin5 / 9
VAL B1047
VAL B1043
ALA B1037
THR B 856
VAL B 860
1.60A16.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
LEU B 927
ILE B 800
PHE B 764
VAL B 860
PRO B 789
1.38A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Tubocurarine4 / 8
TYR B1029
GLN B1018
ARG B 887
ILE B 891
1.45A10.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole5 / 10
ALA B 926
LEU B1045
ALA B1037
THR B 856
VAL B 860
1.21A15.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		Bifonazole4 / 7
PHE A1024
GLY A1026
THR A1048
ILE A 704
1.13A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
LEU C 749
THR C 716
TYR C 989
ARG B 747
VAL C 945
1.71A17.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B1041
HIS B1040
VAL B 808
ALA B1037
PHE B 805
ILE B 787
1.60A16.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		Fluconazole5 / 10
PHE A 870
TYR A 771
ALA A 866
ALA A 864
LEU A 788
1.60A16.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		Fluvoxamine5 / 12
LEU A1045
ILE A 800
ALA A 926
GLY A 928
THR A 706
1.09A16.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
VAL A 860
ALA A 864
ILE A 913
ILE A 787
THR A 863
1.49A9.26
None