PDB ID: 6w4b


Macromolecule:
NSP9

Source Organism:
SARS-CoV-2

Gene names:
1a-1b
rep

UniProt ID:
P0DTD1

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6w4b'

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.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE B  92
LEU B  95
ARG B  40
THR B  36
1.48A13.04
20.49
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU A  30
ASP A  27
PHE A  57
ARG A  40
ALA A  31
1.44A20.00
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone4 / 6
MET A  13
ALA A  55
LEU A  45
ALA A  29
1.49A10.81
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.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		Norethisterone5 / 12
LEU A  46
LEU A  45
LEU A  70
LEU A  43
TYR A  32
1.48A15.35
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.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 101
SER A   6
VAL A   8
ASN A  99
LEU B  98
1.49A16.73
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.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B  10
VAL B 103
SER B 106
VAL B  42
LEU B  70
1.73A18.06
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.
1RUP_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 9
ALA A   9
ASN A  34
LEU A  10
GLY B 105
GLY B 101
1.53A19.73
20.09
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
ALA B  44
LEU B  89
LEU B  46
GLY B 105
VAL B 111
1.64A16.03
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.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU A 113
GLY B 101
GLY A 101
ALA A 108
LEU A 107
1.23A16.77
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine4 / 8
ARG B  40
ALA B  31
LEU B  30
ASP B  27
1.35A20.00
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU B  46
LEU B  45
ALA B  44
GLY B 105
LEU B 104
1.26A17.87
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 10
LEU A  95
ALA A  31
ALA A  44
LEU A 104
PHE A  41
1.49A21.30
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		Doxercalciferol4 / 5
ASN A  34
LEU B  98
GLY A 101
THR A 110
1.14A15.70
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine3 / 3
GLY A  94
GLU A  71
ASN A  96
1.09A16.55
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 12
THR A  80
GLN A  12
LEU A 107
LEU A  46
LEU A 113
1.53A17.38
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 9
ALA A   9
ASN A  34
LEU A  10
GLY B 105
GLY B 101
1.53A19.73
20.09
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A  45
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.33A19.31
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.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine6 / 10
LEU B 107
GLY B 105
GLY A 101
VAL B 103
ALA B  44
SER A   6
1.55A18.06
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.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.26A10.76
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
PHE A  91
LEU A  89
ALA A  44
VAL A  42
LEU B  98
1.49A19.31
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		Salicylic acid4 / 7
VAL B 103
LEU B  89
LEU B  30
VAL B  42
1.24A22.37
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.
6A7P_A_9SCA601_1
(SERUM ALBUMIN)		Aripiprazole4 / 5
ASN A  34
VAL B 103
LEU B  89
SER A   6
1.51A11.63
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 11
TYR A  67
THR A  68
THR A  20
GLY A  18
ASP A  51
1.74A19.92
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 7
THR A  35
PHE A  41
LEU A  43
LEU A  10
1.24A18.94
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 11
MET B 102
ALA A 109
ALA A 108
ALA B   9
THR B  35
1.45A15.86
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 12
LEU B  45
LEU B  46
LEU B  49
ALA B  17
ASP B  48
1.41A23.08
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		Lopinavir5 / 11
ARG B  11
GLY A 105
ILE B  92
THR B  35
VAL B   8
1.57A22.52
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		Paroxetine5 / 12
GLY B 105
GLY A 105
VAL A 103
ALA A  44
ALA B 108
1.35A10.73
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO A   7
LEU B 113
ARG B 112
1.10A15.97
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		Propofol4 / 6
LEU A  45
SER A  47
LEU A  49
LEU A  70
0.97A23.56
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		Sorbitol3 / 3
GLY B  64
ASP B  61
SER B  60
1.52A12.21
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.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A  91
ILE A  92
THR A 110
TYR A  32
LEU A  89
1.77A22.66
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 105
VAL A 111
ALA B 109
ALA B 108
LEU A  10
1.35A17.57
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU B 104
SER B 106
LEU B  43
ASN B  34
1.23A16.77
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		Acetic acid4 / 4
ASN A  28
ALA A  17
GLY A  18
THR A  19
1.74A20.90
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  55
LEU A  52
ASN B   3
ARG A 100
1.51A22.41
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN B  34
ALA B  16
ALA B  17
LEU B  43
LEU B  45
1.33A17.57
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.
1ZUC_A_T98A201_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 10
LEU A  45
LEU A  10
LEU A  95
THR A  68
PHE A  57
1.73A15.35
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.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 12
LEU A  95
VAL A 103
GLN A  12
ILE A  92
ALA A  55
1.30A19.68
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		Hyoscyamine4 / 7
GLY B  18
TRP B  54
TYR B  90
PRO B  73
1.39A20.90
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine6 / 11
LEU B 107
GLY B 105
GLY B 101
VAL B 103
ALA B  44
SER A   6
1.59A18.06
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 8
ASP A  27
SER A  14
ALA A  29
SER A  47
1.56A13.19
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		Acetic acid3 / 3
GLY A  18
THR A  25
ASN A  28
0.83A11.51
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
PHE A  91
LEU A  89
ALA A  44
THR A 110
1.20A15.49
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
GLY A 101
GLY A 105
LEU B  10
LEU B  98
ASN B  96
1.55A11.28
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 107
GLY B 105
GLY A 101
VAL B 103
ALA B  44
1.32A17.91
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL A  42
ARG A  75
PRO A  73
1.28A12.15
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		Melatonin5 / 12
LEU A 113
VAL B   8
LEU B  10
TYR A  32
GLY A 101
1.58A20.93
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.58A18.12
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 9
LEU B  45
VAL B 103
VAL B  42
TYR B  32
LEU B  46
1.69A11.92
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 7
GLU A  69
GLU A  71
TYR A  90
GLY A  18
1.78A21.92
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 9
LEU A  89
PHE A  91
GLU A  71
VAL A 103
ASN A  99
1.76A17.07
14.29
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  91
LEU A  89
LEU A  46
ALA A  44
LEU B  98
1.38A20.28
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.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LYS A  87
THR A  78
LEU A  89
VAL A 111
1.13A22.90
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		Imatinib5 / 12
LEU A  89
TYR A  90
ALA A  44
ILE A  66
ALA A  55
1.26A22.29
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		Desipramine5 / 12
LEU B  95
LEU B  43
ILE B  92
ALA B  31
LEU B  70
1.52A12.33
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.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 10
ALA A   9
ASN A  34
LEU A  10
GLY B 105
GLY B 101
1.52A19.73
20.09
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
THR B 110
ALA A 109
THR A 110
GLY B 105
GLY A 105
1.74A23.17
20.89
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY B 105
LEU B 104
PHE B  76
LEU B 113
VAL B 111
1.09A16.06
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.
1NCW_H_BEZH601_0
(IMMUNOGLOBULIN IGG2A)		Benzoic Acid5 / 9
ALA A   9
ASN A  34
LEU A  10
GLY B 105
GLY B 101
1.56A19.73
20.09
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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER B  14
LEU B  89
ALA B  44
LEU B  46
1.10A22.90
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		Alectinib5 / 10
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.17A15.03
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLY B 105
GLY B 101
ASN A  97
LEU B 107
ALA B 109
1.13A16.86
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
GLY B 105
GLY A 105
ALA B 109
ALA A 109
1.45A14.06
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA A  17
ALA A  55
PHE A  57
ILE A  92
MET B   1
1.55A16.12
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.
1RUM_H_BEZH1601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 9
ALA A   9
ASN A  34
LEU A  10
GLY B 105
GLY B 101
1.54A19.73
20.09
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		Testosterone4 / 8
GLY B 101
LEU B 107
GLY B 105
LEU B 104
1.32A12.78
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.60A18.12
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.
3AQI_B_CHDB5_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO A   7
LEU B 113
ARG B 112
1.05A15.97
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
PHE A  91
LEU A  89
GLY A 105
TYR A  32
1.38A21.50
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU B  98
GLY A 101
LEU A  10
LEU A  95
LEU A  43
1.37A12.40
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.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU A  89
TYR A  90
ALA A  44
ILE A  66
ALA A  55
1.36A21.76
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  92
ALA A  55
LEU A  52
ASN B   3
ARG A 100
1.52A22.41
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		Acetic acid4 / 6
LEU A  45
LEU A  43
VAL A  42
PHE A  91
1.59A11.69
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.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		Adenosine5 / 12
LEU A 113
GLY B 101
GLY A 101
ALA A 108
LEU A 107
1.24A17.61
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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		Adenosine3 / 3
LEU A 113
SER B   6
ASN B   3
1.21A17.61
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine5 / 7
PHE A  41
LEU A  10
VAL A 103
MET A 102
LEU A  95
1.66A11.63
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.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE A  76
LEU A 104
VAL A 103
VAL A 111
LEU A 113
1.72A15.93
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ASN A  34
GLY A 101
GLY B 101
ASN B  97
ASN A  96
1.46A21.33
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.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Bexarotene5 / 12
GLN B  12
LEU B  30
LEU B  10
ILE B  92
LEU B  89
1.40A20.92
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
LEU A 104
LEU A  95
LEU A  98
GLY B 101
1.33A19.33
18.80
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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  46
LEU A  45
ALA A  44
LEU A  43
LEU A 104
1.51A19.03
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol4 / 6
TYR A  90
ASP A  48
VAL A  86
ALA A  17
1.47A20.98
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		Tretinoin6 / 12
PHE A  91
LEU A  89
ALA A  44
VAL A  42
LEU B  98
ARG A 100
1.61A19.31
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.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 10
PHE B  91
LEU B  95
GLY B 101
LEU B 104
ASN B  97
1.44A15.76
21.68
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B  98
ASN B  99
LEU A  98
GLY B 101
VAL A 103
1.62A18.06
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid4 / 8
ALA B  44
TYR B  32
GLY B 101
GLY A 105
1.14A19.73
20.09
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		Tauroursodeoxycholic acid5 / 12
LEU B  95
THR B 110
LEU B 107
PHE B  91
VAL B  42
1.48A8.71
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 10
ALA A  16
ALA A  17
ALA A  55
THR A  68
GLN A  21
1.52A15.86
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine6 / 10
LEU B  10
GLY B 101
GLY A 101
GLN B  12
SER B 106
LEU B 104
1.69A18.79
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.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 102
ALA B 109
LEU B 104
TYR A  33
THR B  78
1.54A22.95
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 5
PHE A  57
THR A  68
LEU A  70
ALA A  17
1.65A6.66
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.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol4 / 4
LEU A  30
ILE A  92
TYR A  90
TYR A  33
1.67A19.67
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.
5IH0_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Acetic acid4 / 6
PHE B  57
PRO B  58
ARG B  40
ILE B  66
1.64A16.99
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		Acetylsalicylic acid4 / 4
LEU B  70
GLY B  18
ASP B  51
TYR B  90
1.44A20.74
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.
1RUL_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 9
ALA A   9
ASN A  34
LEU A  10
GLY B 105
GLY B 101
1.51A19.73
20.09
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.
4OAE_A_CLMA207_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		Chloramphenicol5 / 12
PRO B  58
TYR B  67
ALA B  29
GLY B  18
LEU B  52
1.57A20.83
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal5 / 10
LEU A  45
ALA A  31
SER A 106
LEU A 104
VAL A 103
1.51A11.63
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.
5IEN_A_VDYA201_2
(CDL2.2)		Calcidiol5 / 12
LEU A  30
LEU A  95
ILE A  92
LEU A  70
LEU A  10
1.30A21.60
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.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 109
LEU B  10
LEU A 113
PRO B   7
THR B 110
1.37A18.12
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.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 5
LEU A 104
ALA A 108
LEU A 113
LEU B  10
1.43A5.37
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A  46
LEU A  45
ALA A  44
LEU A  43
LEU A 104
1.47A19.11
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA A 108
GLY A 101
GLY A 105
LEU B 104
LEU B  98
1.25A22.12
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.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
ALA B  31
LEU B  43
ARG B 100
THR B 110
LEU B  10
1.53A13.18
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 10
LEU A  95
ALA A  44
LEU A  89
GLY A 101
LEU A 104
1.22A15.34
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.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		Liothyronine4 / 6
LEU A  89
GLU A  71
LEU A  46
VAL A  42
1.34A21.21
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE B  92
GLY B  18
ASN B  28
TYR B  90
GLU B  71
1.75A17.19
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.
5KBW_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
LEU B  10
GLY A 101
ASN B  99
LEU B  95
ALA B  44
1.62A19.02
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		S-Adenosylmethionine5 / 12
GLY A 101
GLY A 105
SER B 106
LEU B 104
LEU A  95
1.24A18.32
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		Acarbose4 / 6
ALA A  17
SER A  60
LEU A  70
TRP A  54
1.41A13.60
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid4 / 5
LEU A  89
LEU A 104
GLY A 101
GLY A 105
1.16A14.95
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.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU B  46
LEU B  45
ALA B  44
GLY B 105
LEU B 104
1.27A19.01
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.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
ALA A 109
LEU A 104
LEU A 113
LEU A  46
1.12A19.33
18.80
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)		Aminocaproic Acid5 / 12
LEU B 107
GLY B 105
GLU B  71
LEU B  95
LEU B  43
1.66A16.00
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A  45
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.42A17.05
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.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL B  42
LEU B  45
ALA B  31
SER B  60
ALA B  55
1.28A21.21
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.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B  91
LEU B  46
ALA B  44
SER B 106
LEU A  98
1.56A20.28
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib6 / 12
LEU B  95
ALA B  44
LEU B 107
LEU B  89
GLY B 101
LEU B 104
1.62A15.28
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin5 / 12
GLY B 101
ASN B  34
GLY A 101
GLY A 105
ARG A 100
1.73A19.08
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide6 / 11
SER B  14
ALA B  29
LEU B 107
SER B  47
LEU B  46
LEU B 113
1.75A17.68
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.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ILE A  66
ALA A  55
LEU A  45
CYH A  15
LEU A 107
1.44A17.56
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		Econazole5 / 12
LEU A  46
THR A 110
GLY A 105
GLY B 105
LEU A  89
1.67A14.81
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.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		Adenosine5 / 12
ALA B   9
ASN B  34
ALA A 109
THR B 110
GLN B  12
1.41A16.05
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.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A 101
GLY B 105
LEU B 104
ASN B  99
VAL B 103
1.40A8.21
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.
1LQT_A_ACTA1872_0
(FPRA)		Acetic acid4 / 5
SER A  47
ASN A  28
ALA A  17
ASP A  27
1.74A16.81
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU A  98
LEU A 104
SER A 106
LEU A  10
1.49A17.65
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide4 / 8
THR A  19
GLY A  18
ALA A  23
SER A  47
1.10A16.20
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.
2HND_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU B  45
VAL B 103
VAL B  42
TYR B  32
LEU B  46
1.75A12.94
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 11
CYH A  15
ALA A  29
LEU A  46
ALA A  44
VAL A  42
1.47A19.68
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR B  25
ASP B  26
ALA B  16
1.45A16.61
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 9
LEU A  89
ILE A  92
ALA A  31
GLY B 105
LEU A  10
1.49A14.03
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		Nevirapine5 / 10
LEU B  45
VAL B 103
VAL B  42
TYR B  32
LEU B  46
1.69A11.67
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.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B 104
VAL A   8
SER A   6
VAL A 103
LEU A  95
1.50A17.19
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLY A 101
ASN B  97
LEU A 107
ALA A 109
THR A 110
1.24A16.86
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		Acetic acid3 / 3
THR B  25
ALA B  16
ASN B  28
1.32A14.07
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole6 / 12
LEU B  70
LEU B  49
ALA B  23
THR B  25
ALA B  16
ALA B  29
1.65A14.16
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.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
GLU A  71
LEU A  46
VAL A  42
LEU A  43
GLY A 101
1.67A14.45
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A  61
ARG A  40
THR A  63
1.45A18.12
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
LEU B  95
ALA B  44
LEU B 107
LEU B  43
GLY B 101
LEU B 104
1.29A16.22
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		Ixazomib5 / 11
THR B 110
ALA A 109
THR A 110
GLY B 105
LEU A  89
1.50A19.31
22.01
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.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine4 / 7
PHE B  76
ALA A   9
GLY B 105
THR A  35
1.23A11.96
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Digoxin5 / 12
ALA A 109
ALA B 108
PHE B  91
LEU B  95
LEU B  98
1.61A22.07
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.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.63A20.73
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU B 104
VAL B 103
ILE B  66
ILE B  92
LEU B  95
1.51A17.43
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 6
TYR A  32
ALA A 108
SER A 106
THR A 110
1.52A10.59
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
ASP B  48
SER B  47
THR B  25
ALA B  23
ALA B  17
1.79A14.43
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.39A12.03
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A  42
LEU A  46
ALA A  44
LEU A 107
THR A 110
1.18A19.68
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.
1OS6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU B  10
LYS A   6
MET A 102
GLY B 101
1.33A17.50
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.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU B  43
ALA B  44
LEU B  89
MET A 102
1.64A17.72
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU A 113
GLY B 101
GLY A 101
ALA A 108
LEU A 107
1.26A16.19
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.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
VAL B 111
LEU B 104
VAL B 103
PHE B  76
LEU B  95
1.32A15.10
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		Darunavir4 / 6
ASN B  28
ASP B  26
THR B  20
THR B  19
1.46A15.87
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA A 108
GLY A 101
GLY A 105
LEU B 104
LEU B  98
1.31A22.12
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  91
LEU A  89
LEU A  46
ALA A  44
LEU B  98
1.21A19.29
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
PRO A   7
LEU B 107
TYR B  32
LEU B  46
1.41A11.63
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 105
GLY B 101
ASN A  99
ALA B 109
LEU A  43
1.52A18.22
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		Febuxostat5 / 12
LEU B  30
LEU B  46
PHE B  76
VAL B 103
ALA B 108
1.56A7.87
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.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU B  46
PHE B  76
LEU B  89
PHE B  91
1.51A18.29
20.49
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.
3WG7_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE B  92
LEU B  95
ARG B  40
THR B  36
1.45A13.04
20.49
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
THR B 110
ALA B 108
ALA A   9
GLY A 105
SER A 106
1.37A22.56
20.89
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.
1A28_A_STRA1_1
(PROGESTERONE
RECEPTOR)		Progesterone5 / 12
LEU A  46
LEU A  30
GLN A  12
LEU A 113
PHE A  91
1.13A15.08
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.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A  95
ALA A  44
LEU A  89
GLY A 101
LEU A 104
1.20A15.34
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 102
LEU B 104
ALA B 108
LEU B 113
LEU A  10
1.58A17.43
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 11
ALA B  17
ASN B  28
THR B  19
GLY B  18
ALA B  23
1.70A20.45
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate5 / 10
VAL A 103
GLY B 105
ALA B  44
ASN A  34
VAL A   8
1.61A16.37
22.34
15.13
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		Tamoxifen5 / 12
ALA B  44
LEU B 107
SER B 106
LEU B 113
LEU A  10
1.41A12.40
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		Ceritinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.20A15.03
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 10
LEU A  95
ALA A  44
LEU A  89
GLY A 101
LEU A 104
1.19A15.34
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
TYR A  32
LEU A  46
ASP A  48
THR A 110
1.20A21.50
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 101
GLY B 105
SER A 106
LEU A 104
LEU A  98
1.15A16.73
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.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
ALA B  29
ALA B  16
LEU B  89
LEU B  46
LEU B  95
1.49A22.22
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		Ouabain4 / 6
LEU B 113
PHE B  76
TYR B  32
VAL B  77
1.78A20.45
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.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine5 / 12
THR B 110
ALA B 108
GLY A 105
LEU B  43
TYR B  32
1.38A14.55
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.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 6
THR B 110
LEU B 107
GLY B 105
TYR B  32
1.37A20.00
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  43
ARG A  11
ARG A  40
GLY A  39
1.47A15.69
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ASN A  96
GLU A  71
LEU B  98
PHE A  91
1.67A17.00
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
TYR A  33
VAL A  42
GLY A  39
ARG A  40
1.53A14.32
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin4 / 7
GLY B  18
ALA B  17
ASP B  27
ARG B  56
1.16A12.37
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.
4PXM_B_ESTB2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  45
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.37A19.01
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		Tofacitinib5 / 12
LEU B 107
GLY B 105
GLY A 101
VAL B 103
SER A   6
1.19A17.04
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 12
ALA B 108
THR B 110
GLY A 101
LEU A  89
THR A 110
1.65A17.43
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.30A12.03
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 11
ALA A  16
ALA A  17
ALA A  55
THR A  68
GLN A  21
1.52A15.86
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.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.36A12.03
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 5
LEU A  70
ALA A  31
THR A  68
PHE A  57
1.50A14.40
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.
2WX2_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole4 / 7
PHE B  57
ALA B  31
ALA B  44
LEU B  95
1.41A13.54
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
THR B  36
LEU B  43
ASN B  99
SER B   6
1.42A13.46
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.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		Acetic acid4 / 5
THR A  68
ILE A  92
PHE A  57
LEU A  45
1.70A18.54
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.
3ELZ_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 11
VAL B 103
LEU B 107
TYR B  33
GLN B  12
THR B 110
1.78A20.13
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.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  45
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.37A17.05
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.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
ALA B  31
LEU B  43
ARG B 100
THR B 110
LEU B  10
1.54A13.18
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 9
GLY A 101
LEU A  10
LEU A  43
LEU A  98
ASN A  97
1.30A15.33
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
GLY A 105
GLY B 105
LEU A 104
LEU A  10
ALA A 109
1.50A18.15
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.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 109
LEU B  10
LEU A 113
PRO B   7
THR B 110
1.43A18.12
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		Benzylpenicillin4 / 5
ASN B  28
ALA B  17
ALA B  16
ARG B  56
1.44A19.59
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.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.64A20.73
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.
6EUQ_A_DXCA502_0
(MULTIDRUG
TRANSPORTER MDFA)		Deoxycholic Acid5 / 11
ASN A  28
ASP A  27
LEU A  52
GLN A  21
LEU A  45
1.62A14.64
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		Dopamine4 / 7
ALA B  55
PHE B  57
ALA B  31
LEU B  45
1.05A15.38
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.
3SMT_A_ACTA1001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		Acetic acid4 / 5
LEU B  95
GLY B  94
PHE B  91
ARG B 100
1.67A13.93
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.44A11.88
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU B 107
SER B 106
ALA A 109
LEU B 113
1.23A23.56
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 8
LEU A  30
GLY A  18
ALA A  55
THR A  68
ILE A  92
1.68A14.66
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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS B  53
LEU B  89
ILE B  92
1.14A19.02
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.
2JT9_A_ACAA7_1
(5-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
CYCLOLINOPEPTIDE X
MODIFIED 16-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
HOMEOTIC PROTEIN
ANTENNAPEDIA)		Aminocaproic Acid4 / 5
LEU A  30
LEU A  46
ARG A  11
GLN A  12
1.19A9.30
8.82
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime5 / 12
GLY B 105
TYR A  32
THR A 110
GLY A 105
GLY A 101
1.19A19.08
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
THR A  68
PHE A  57
ALA A  55
LEU A  43
VAL A 103
1.48A19.02
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
ARG A 100
GLY A 101
LEU A  10
LEU A 107
ALA A 108
1.42A20.40
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
LEU A 104
ALA A  44
LEU A  46
PHE A  76
0.99A20.60
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
ALA B  44
ASN B  34
SER B 106
THR B 110
ALA B  31
1.65A20.00
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
ALA B  44
ASN B  34
SER B 106
THR B 110
ALA B  31
1.64A20.00
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR B  80
THR B 110
LEU B  30
1.03A15.00
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.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		Liothyronine4 / 8
LEU A  89
GLU A  71
LEU A  46
VAL A  42
1.32A21.21
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.
2ZGW_B_ADNB1302_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 6
GLU A  71
ALA B   0
ASN B   3
PRO A  72
1.57A16.74
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Hyoscyamine4 / 7
GLY B  18
TRP B  54
TYR B  90
PRO B  73
1.39A20.90
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.
4QVN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
THR B 110
ALA A 109
THR A 110
VAL B 103
GLY B 105
1.70A22.56
20.89
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		Timolol3 / 3
THR A 110
SER A 106
PHE A  76
0.55A11.63
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.
1LQU_A_ACTA1429_0
(FPRA)		Acetic acid4 / 5
SER A  47
ASN A  28
ALA A  17
ASP A  27
1.73A16.81
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY A 105
ASN B  34
THR B 110
GLY B 105
GLY B 101
1.27A19.47
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA B  44
GLY B  18
ALA B  29
CYH B  15
1.22A21.26
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
ALA B  17
LEU B  89
LEU B  45
CYH B  15
PHE B  57
1.72A18.15
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN B  34
ALA B  16
ALA B  17
LEU B  43
LEU B  45
1.30A18.22
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 12
MET B 102
ALA A 109
ALA A 108
ALA B   9
THR B  35
1.43A15.86
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		Halothane5 / 8
ALA A  17
LEU A  46
LEU A  45
LEU A  52
LYS A  87
1.57A11.63
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole5 / 12
GLY B  39
LEU B  95
GLY A 101
LEU B  10
THR B  36
1.47A12.88
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.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		Benzoic Acid5 / 10
GLY A 101
GLY A 105
LEU A 104
LEU A  89
TYR A  32
1.10A20.09
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.
3VYW_D_SAMD401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A  32
GLY B 105
GLY B 101
LEU A  98
ALA A 109
1.64A18.53
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.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)		Riboflavin5 / 12
ALA A  31
GLY B 105
ALA B 109
VAL A 103
THR A 110
1.39A13.16
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 5
LEU B  95
PHE B  41
VAL B 103
ALA B  44
1.64A19.03
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 7
GLY B 105
SER B 106
SER A 106
LEU B  10
1.13A13.08
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.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Voriconazole4 / 8
ILE B  66
GLY B  39
THR B  36
LEU B  43
0.77A13.03
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU A  52
ALA A  55
LEU A  70
ALA A  44
ALA A  29
1.16A16.77
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.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		Levothyroxine5 / 11
LEU B  46
ALA B  44
LEU B  10
THR B 110
VAL B 111
1.50A22.90
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.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		Nevirapine4 / 8
LEU B  70
CYH B  24
TRP B  54
TYR B  90
1.40A11.67
13.29
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
LEU B  10
TYR B  32
LEU B  43
THR B 110
1.61A18.22
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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		Cholic Acid5 / 11
LEU A  98
LEU B  43
MET A 102
LEU B 104
CYH B  74
1.56A15.43
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		Tamibarotene6 / 12
LEU A  89
THR B 110
THR A 110
VAL A 111
GLY A 101
LEU B 113
1.66A17.48
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine6 / 12
THR A 110
GLY A 105
SER A 106
ALA B 108
LEU B 107
PHE B  41
1.57A17.07
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.16A16.72
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
VAL A 103
LEU A 104
LEU A  95
PHE A  57
LEU A  89
1.45A11.85
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.
2ZSE_A_PAUA600_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 7
ARG B  40
PHE B  57
MET B  13
ILE B  66
1.59A17.10
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 9
LEU A  43
LEU A  98
LEU A  95
PHE A  91
LEU A 104
1.73A17.73
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR B  20
ALA B  29
ASN B  28
LEU B  45
1.30A18.56
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate5 / 11
VAL A 103
GLY B 105
ALA B  44
ASN A  34
VAL A   8
1.62A16.37
22.34
15.13
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.
1MZ9_A_VDYA1002_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
ILE A  92
LEU A  43
VAL A 103
ALA A 109
1.11A19.82
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU A  89
ILE A  92
PHE A  91
GLY A 101
1.00A18.33
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.
1J78_B_VDYB500_1
(VITAMIN D BINDING
PROTEIN)		Calcidiol5 / 10
PHE A  91
LEU A  46
TYR A  32
LEU A  10
SER B 106
1.79A13.32
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid3 / 3
LYS A  87
ASN B   3
ASP A  48
1.28A17.29
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  46
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.46A19.03
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 11
LEU B  49
TYR B  90
ALA B  29
GLY B  18
PHE B  91
1.25A22.29
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU B  89
LEU B  10
PHE B  91
1.09A14.59
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A  95
ALA A  44
LEU A  89
GLY A 101
LEU A 104
1.18A14.81
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY A 105
ASN B  34
THR B 110
GLY B 105
GLY B 101
1.24A19.39
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		Dopamine4 / 6
PHE A  57
ALA A  55
ALA A  29
LEU A  45
1.23A15.42
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine6 / 10
ARG A 100
GLY A 101
LEU A  10
LEU A  43
LEU A  98
ASN A  97
1.75A15.33
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.
4J7X_B_SASB804_2
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine3 / 3
LEU B 104
MET A 102
ASP B  79
1.37A19.03
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.
1WRL_E_TFPE212_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 7
PHE B  41
PHE B  57
LEU B  70
MET B 102
1.51A19.44
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime5 / 12
GLY B 105
TYR A  32
THR A 110
GLY A 105
GLY A 101
1.19A19.08
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 6
ASP B  48
TYR B  90
LEU B  46
THR B  78
1.59A9.58
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
ILE A  92
LEU A  43
VAL A 103
ALA A 109
1.15A19.82
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		Imatinib5 / 12
VAL A  42
ILE A  66
THR A  68
LEU A  45
ALA A  31
1.45A16.78
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LYS A  87
THR A  78
LEU A  89
VAL A 111
1.18A22.90
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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		Fluconazole4 / 8
TYR A  32
ALA B 109
ALA A 109
LEU A 113
1.25A13.35
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.15A16.72
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 10
VAL B 103
GLY B 101
ALA B  44
LEU B  95
ASN B  97
1.65A9.00
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin4 / 7
LEU A  10
THR B 110
ALA B 109
THR A 110
1.36A22.90
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 7
ASN A  99
LEU A  98
VAL A   8
SER A   6
1.54A14.42
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.
3BOG_C_DVAC47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Valine4 / 4
GLY A 101
GLY A 105
GLY B 105
GLY B 101
1.12A15.93
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.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib5 / 12
LEU A  89
LEU A 113
PHE A  91
GLY A 101
SER A 106
1.39A12.03
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.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A  43
ASN A  99
GLY A 101
GLY B 101
LEU A  89
1.61A21.82
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 8
PHE A  57
LEU A  89
ALA A  29
LEU A  52
ALA A  55
1.49A20.60
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		Etravirine5 / 10
LEU A  70
LYS A  93
VAL A  42
TYR A  67
LEU A  45
1.62A11.49
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
ALA B  31
ALA B  29
VAL B  42
ILE B  66
0.99A12.28
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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		Tretinoin6 / 12
PHE A  91
LEU A  30
ALA A  44
VAL A  42
LEU B  98
ARG A 100
1.71A17.48
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A  61
ARG A  40
THR A  63
1.44A18.12
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A  70
LEU A  46
LEU A 104
LEU A  95
THR A  68
1.75A17.72
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  43
GLY A 101
GLY B 101
LEU A  43
ALA A 108
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		Maraviroc4 / 5
TYR B  33
THR B  78
LEU B 113
MET B 102
1.77A15.48
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
TYR B  90
ASN B  28
LEU B  52
1.54A13.64
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
SER B  47
ALA B  55
ARG B  56
ASP B  26
1.46A11.63
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
THR B 110
SER B 106
GLY B 105
VAL B  42
ILE B  92
1.59A13.61
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.
4DMG_A_SAMA401_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493)		S-Adenosylmethionine5 / 12
GLN A  50
TYR A  88
LYS A  53
ASP A  51
PRO A  72
1.79A14.96
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU B 107
SER B 106
ALA A 109
LEU B 113
1.21A23.56
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		Vitamin A6 / 12
LEU B 113
LEU A  10
ALA A  44
VAL A   8
MET A 102
LEU B 104
1.79A21.02
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		S-Adenosylmethionine5 / 12
ALA A 108
GLY A 105
GLY A 101
ASP A  79
PRO B   7
1.38A15.36
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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
GLY B 105
GLY B 101
SER A 106
VAL A 103
ASN A  34
1.56A15.00
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.13A18.29
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
ALA B  55
ILE B  92
ILE B  66
THR B  68
PHE B  41
0.98A14.89
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.
3BGR_A_T27A556_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Rilpivirine5 / 11
LEU B 107
TYR B  88
TYR B  90
LEU B  46
TYR B  32
1.45A11.67
13.29
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.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		Saquinavir5 / 9
ALA B  16
ASP B  27
ASP B  26
ILE B  66
THR B  22
1.68A22.40
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		Testosterone5 / 12
PHE A  76
GLN A  12
ALA A  31
ALA A  44
LEU A  52
1.48A15.86
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 8
LEU A  30
GLY A  18
ALA A  55
THR A  68
ILE A  92
1.68A14.66
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.28A11.82
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.67A18.12
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B  89
ASN B  99
LEU A  98
LEU B 104
GLY B 105
1.78A16.63
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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ALA B 109
ALA A 109
LEU A 107
LEU B  10
LEU B 107
1.63A12.05
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU B  89
GLU B  71
ALA B  44
LEU B  46
1.29A22.90
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.70A13.58
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.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.27A12.03
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.
5JKV_A_ASDA602_1
(AROMATASE)		4-Androstenedione5 / 12
ILE B  92
PHE B  91
ALA B  55
LEU B 107
LEU B  89
1.48A12.15
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.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 104
SER A 106
LEU A  43
LEU A  89
1.49A16.77
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.
6ECX_A_SAMA1301_0
(STIE PROTEIN)		S-Adenosylmethionine5 / 12
LEU B 104
GLY A 101
GLY B 101
VAL A 103
LEU A  43
1.29A17.57
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.
4EIX_A_NIMA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Nimesulide4 / 4
LEU B  70
ALA B  44
ILE B  92
LYS B  53
1.72A20.90
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.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam4 / 6
VAL A 103
LEU A 107
LEU A  89
PHE A  57
1.36A11.85
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.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A  92
LEU A  95
ARG A  40
THR A  35
1.50A13.04
20.49
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.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		Crizotinib5 / 9
LEU A  95
ALA A  44
LEU A  89
GLY A 101
LEU A 104
1.19A15.34
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU A  98
LEU B 104
LEU B 107
ALA B 108
LEU B 113
1.50A18.03
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY B  94
ARG B  56
LEU B  52
ALA B  55
ALA B  17
1.41A19.02
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.12A18.71
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU B  45
VAL B 103
VAL B  42
TYR B  32
LEU B  89
1.72A11.85
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.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU A  45
PHE A  76
LEU A 107
SER A  47
LEU A  30
1.73A12.61
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		Benzoic Acid5 / 8
GLY A 105
GLY B 105
SER B 106
ALA A 109
LEU B 113
1.75A12.40
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 6
LEU A  89
ALA A  44
LEU A  46
SER A  14
1.18A22.90
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		Diazepam5 / 12
LEU B  45
ILE B  92
LEU B 107
VAL B 103
LEU B  89
1.65A11.63
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		S-Adenosylmethionine5 / 12
GLN B  12
LEU B 107
ALA B  55
ALA B  29
ASN B  28
1.46A18.50
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.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU A  89
TYR A  90
ALA A  44
ILE A  66
ALA A  55
1.40A21.76
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.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 9
CYH A  74
ALA A  44
LEU A 104
LEU A 107
1.00A16.19
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLY B 105
GLY B 101
ASN A  97
LEU B 107
ALA B 109
1.10A16.86
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.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 10
TYR A  67
THR A  68
THR A  20
GLY A  18
ASP A  51
1.77A19.92
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 9
LEU A  30
GLY A  18
ALA A  55
THR A  68
ILE A  92
1.61A14.66
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY B 105
LEU B 104
PHE B  76
LEU B 113
VAL B 111
1.10A16.06
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.54A18.12
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.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS B  53
LEU B  89
ILE B  92
1.18A19.27
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.
1LII_A_ADNA699_2
(ADENOSINE KINASE)		Adenosine4 / 4
SER B 106
LEU B  89
TYR B  32
GLY B 101
1.64A15.92
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.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU A  89
ILE A  92
PHE A  91
GLY A 101
0.93A17.50
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.35A12.03
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
GLY B 105
GLY B 101
SER A 106
VAL A 103
ASN A  34
1.55A15.00
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA B  17
ASN B  28
THR B  19
GLY B  18
ALA B  23
1.69A20.45
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU B  45
VAL B 103
VAL B  42
TYR B  32
LEU B  46
1.77A12.94
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 105
VAL A 111
ALA B 109
ALA B 108
LEU A  10
1.42A18.22
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.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline5 / 12
LEU A  89
LEU A  46
ALA A  31
LEU A  43
THR A  68
1.56A12.70
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate3 / 3
TRP A  54
GLN A  50
THR A  19
1.34A21.38
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.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		Cholic Acid5 / 12
PHE B  76
VAL B 111
PHE B  57
VAL B  42
LEU B  89
1.41A16.00
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.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE B  57
ILE B  66
ASP B  61
1.08A17.34
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.12A16.72
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.57A20.83
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.
3OHT_B_1N1B1000_1
(P38A)		Dasatinib5 / 12
VAL B   8
ALA A 108
GLY A 101
ASN A  97
LEU B  43
1.22A14.61
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Mercaptopurine4 / 6
PHE A  57
THR A  68
ALA A  29
ALA A  17
1.34A10.17
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.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY A 105
ASN B  34
THR B 110
GLY B 105
GLY B 101
1.26A19.39
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE B  57
LEU B  45
LEU B  70
0.93A12.40
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 9
PHE B  91
LEU B  95
GLY B 101
LEU B 104
ASN B  97
1.44A15.76
21.68
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.
5OM7_A_DM2A501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 11
LEU A  89
PHE A  91
GLU A  71
VAL A 103
ASN A  99
1.75A17.07
14.29
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.
3SEL_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 8
LEU B  10
LYS A   6
MET A 102
GLY B 101
1.22A17.12
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.
2Q72_A_IXXA801_1
(TRANSPORTER)		Imipramine5 / 11
LEU B  95
LEU B  43
ILE B  92
ALA B  31
LEU B  70
1.52A12.33
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 109
LEU B  10
LEU A 113
PRO B   7
THR B 110
1.39A18.12
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.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU A  46
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.47A17.87
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.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		Paromomycin5 / 10
TYR A  67
THR A  68
THR A  20
GLY A  18
ASP A  51
1.72A19.92
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		L-Histidine5 / 12
THR B 110
LEU B  46
TYR B  32
GLY B 105
ALA B 108
1.42A13.71
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.
1A29_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
ILE A  92
LEU A  70
ALA A  31
VAL A  42
1.29A19.61
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		Tretinoin6 / 12
PHE A  91
LEU A  89
ALA A  44
VAL A  42
LEU B  98
ARG A 100
1.56A19.31
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A  46
LEU A  45
ALA A  44
GLY A 105
LEU A 104
1.37A17.43
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib5 / 12
ALA B  55
ILE B  66
THR B  68
SER B  47
PHE B  41
1.22A17.41
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B  91
LEU B  46
ALA B  44
SER B 106
LEU A  98
1.61A19.72
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Methysergide6 / 12
VAL A 103
SER A 106
LEU A  89
PHE A  91
GLY B 101
VAL A 111
1.59A16.16
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
LEU B  89
CYH B  74
PHE B  91
GLY A 101
LEU A  98
1.64A19.03
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.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		Diflunisal5 / 11
PHE B  91
ALA B  44
ALA B  31
ALA B  17
LEU B  89
1.56A11.63
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
SER B  14
LEU B  70
ARG B  56
PHE B  57
1.33A11.82
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		Tofacitinib5 / 12
LEU B 107
GLY B 105
GLY A 101
VAL B 103
ALA B  44
1.30A16.90
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA B  17
ASN B  28
THR B  19
GLY B  18
ALA B  23
1.66A20.45
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.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		S-Adenosylmethionine4 / 6
CYH A  74
ASN A  97
LEU A  95
GLU A  71
1.78A13.70
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
PHE A  57
VAL A  42
PHE A  76
LEU A 107
ALA A  29
1.59A20.65
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine6 / 12
GLY A 101
GLY A 105
SER B 106
GLY B 105
LEU B 104
LEU B  98
1.22A22.12
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.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
LEU A  45
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.51A18.33
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A  46
ALA A  44
LEU A  43
GLY A 105
LEU A 104
1.48A17.05
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Ruxolitinib5 / 9
LEU B  10
ALA B  44
TYR B  32
GLY B 105
LEU B 104
1.76A20.30
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
CYH A  15
ALA A  29
LEU A  46
ALA A  44
VAL A  42
1.39A14.21
19.68
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.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
ALA A  55
ILE A  66
THR A  68
LEU A  45
ALA A  31
1.52A20.30
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.
5O96_E_SAME501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
LEU B 104
GLY A 105
SER A   6
LEU A  98
ARG A 100
1.56A20.49
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.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B  91
LEU B  46
ALA B  44
SER B 106
LEU A  98
1.58A19.72
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  92
ALA A  31
LEU A  89
SER A 106
ARG A 100
1.53A18.12
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.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
ASP A  27
LEU A  49
LEU A  52
GLY A  18
PHE A  57
1.61A13.70
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A 101
GLY B 101
ASN A  99
LEU A 104
LEU A  89
1.45A19.40
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.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU B  30
ALA B  29
LEU B  45
LEU B  89
LEU B  49
1.53A18.58
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
ALA A 108
VAL B 103
GLY B 105
ASN B  34
VAL B   8
1.53A18.45
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		Acetic acid3 / 3
TYR A  88
ASP A  51
GLN A  50
1.40A17.54
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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
ASN B  97
LEU B  95
ALA B  44
LEU B  43
1.43A13.35
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		Tofacitinib6 / 12
LEU B 107
GLY B 105
GLY A 101
VAL B 103
ALA B  44
SER A   6
1.43A15.36
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL A  42
LEU B 104
ILE A  66
ILE A  92
1.23A16.67
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		Argatroban5 / 10
TYR B  32
LEU B  10
LEU A  10
ALA A  44
GLY A 101
1.78A19.52
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.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		Nicotine4 / 8
THR A  68
CYH A  24
TYR A  67
LEU A  70
1.70A15.34
16.02
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Osimertinib5 / 8
LEU B 107
GLY B 105
VAL B 103
ALA B  44
LEU B  46
1.42A18.29
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 7
VAL A 103
GLY A 105
MET A 102
LEU B 104
1.17A16.67
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		Cefotaxime5 / 12
ALA A 108
ASN B  34
THR B 110
GLY A 105
GLY A 101
1.30A18.92
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLY B 101
MET B 102
LEU B  10
PHE B  41
ASN B  34
1.49A19.02
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.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU A  95
ALA A  44
LEU A 107
GLY A 101
LEU A 104
1.00A16.22
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		Tanaproget6 / 12
LEU A  89
LEU A  46
LEU A  30
GLN A  12
LEU A 113
PHE A  91
1.75A15.35
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 11
LEU B  95
ALA B  31
ALA B  44
LEU A  98
LEU B 104
1.26A21.30
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		Rifabutin4 / 7
LEU A 113
ARG A 112
GLY A 105
SER A 106
1.38A19.83
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
LEU A 107
TYR A  32
ALA B 108
LEU A  95
LEU A  10
1.58A20.62
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 12
ALA B  44
GLY A 101
LEU B  46
ALA B 108
LEU B  89
1.35A14.68
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU B  46
VAL B 103
GLY B 105
MET A 102
1.43A15.69
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.
6BKL_D_RIMD101_0
(MATRIX PROTEIN 2)		Rimantadine5 / 9
GLY B 101
ALA A   9
ALA B 109
VAL A 103
SER A 106
1.41A11.11
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
ALA B  31
LEU B  46
LEU B  95
ILE B  92
LEU B 104
LEU B 107
1.70A17.40
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		4-Androstenedione5 / 12
ILE B  92
PHE B  91
ALA B  55
LEU B 107
LEU B  89
1.48A12.15
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
ASP A  27
SER A  14
ALA A  29
SER A  47
1.53A13.19
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.
5EAJ_B_FOLB201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP B  27
ARG B  11
ARG B  40
1.70A18.12
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
LEU A  95
ALA A  44
LEU A 107
LEU A  43
GLY A 101
LEU A 104
1.31A16.22
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.
3VYW_B_SAMB401_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY B 101
GLY A 105
LEU A 107
ASN A  99
LEU A  98
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		Vitamin A5 / 12
PHE A  91
LEU A  89
ALA A  44
LEU A  43
PHE B  41
1.44A18.71
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib5 / 12
LEU B  95
ALA B  44
LEU B  43
GLY B 101
LEU B 104
1.14A18.48
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		Flurbiprofen5 / 12
LEU A  43
LEU A  89
GLY B 105
SER A 106
LEU A 107
1.28A11.82
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.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
PHE B  91
GLY A 101
GLY A 105
ALA A 108
LEU B  98
1.58A10.88
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.
4WG0_A_CHDA103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 8
LEU B  52
ALA B  44
LEU B  45
TYR B  90
1.13A15.38
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		Cefixime3 / 3
GLY B  94
GLU B  69
THR B  68
1.01A19.38
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Valine3 / 3
GLY B 105
GLY A 101
GLY A 105
0.64A15.93
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.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 7
LEU B  70
LEU B  30
ILE B  92
GLY B  94
LEU B  95
1.46A5.37
None