PDB ID: 1qz8


Macromolecule:
POLYPROTEIN 1AB

Source Organism:
SARSr-CoV

Gene names:
NSP9

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '1qz8'

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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 8
ASN B  27
SER B  46
ASP B  25
SER B  13
1.44A10.62
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.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid3 / 3
GLN B  20
THR B  19
THR B  21
0.96A18.03
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.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A  42
LEU A   9
VAL A 102
SER A 105
VAL A  41
1.39A17.19
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA B  43
GLY B  17
ALA B  28
CYH B  14
1.20A21.77
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 12
LEU A   9
GLY A 100
GLY B 100
GLN A  11
LEU A 103
1.39A18.79
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.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
ALA A  54
ILE A  65
THR A  67
ALA A  43
GLY A  38
1.28A14.98
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.
1J78_B_VDYB500_1
(VITAMIN D BINDING
PROTEIN)		Calcidiol5 / 10
PHE A  90
LEU A  45
TYR A  31
LEU A   9
SER B 105
1.72A13.10
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.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR B 109
SER B 105
TYR B  31
1.73A10.20
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide4 / 8
THR B  18
GLY B  17
ALA B  22
SER B  46
1.18A16.82
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.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
LEU B   4
ASN B  98
LEU B  42
LEU B   9
VAL B 102
1.62A10.96
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		S-Adenosylmethionine3 / 3
ASN B  34
ARG B  39
ASP B  60
1.26A15.69
SO4  B 695 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ASN A  95
GLU A  70
LEU B  97
PHE A  90
1.74A19.28
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.
2JT9_A_ACAA7_1
(5-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
CYCLOLINOPEPTIDE X
MODIFIED 16-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
HOMEOTIC PROTEIN
ANTENNAPEDIA)		Aminocaproic Acid4 / 5
LEU B  29
LEU B  45
ARG B  10
GLN B  11
1.28A9.30
8.82
None
None
SO4  B 695 (-2.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		Benzoic Acid5 / 8
ALA A  54
VAL A  41
PHE A  56
ALA A  15
MET A  12
1.35A10.10
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.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)		Riboflavin5 / 12
ALA A  30
GLY B 104
ALA B 108
VAL A 102
THR A 109
1.38A15.06
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 7
GLY B 104
SER B 105
SER A 105
LEU B   9
1.19A16.53
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 10
LEU A  94
ALA A  30
ALA A  43
LEU A 103
PHE A  40
1.39A19.53
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 6
TYR A  31
ALA A 107
SER A 105
THR A 109
1.45A10.56
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU A  68
LEU A  51
LYS A  52
ALA A  28
ASN A  27
1.61A18.44
SO4  A 691 (-2.7A)
None
SO4  A 692 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_2
(ADENOSINE KINASE)		Adenosine5 / 5
CYH A  73
LEU A 106
SER B   5
LEU A 112
LEU A  45
1.66A13.47
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.
4PXM_B_ESTB2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  44
ALA A  43
LEU A  42
GLY A 104
LEU A 103
1.40A17.10
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.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
ARG A  99
LEU A   9
GLY B 100
ASN B  96
LEU A 103
1.50A15.96
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY A 100
GLY B 100
LEU A  97
GLU A  70
VAL A 102
LEU A  42
1.75A14.74
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
LEU A  94
ALA A  43
LEU A  88
LEU A  42
GLY A 100
LEU A 103
1.63A16.03
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL A  41
ILE A  65
THR A  67
LEU A  44
ALA A  30
1.45A12.88
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.
5VLM_F_CVIF301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
ARG B  10
GLN B  11
TYR B  31
ASP A  78
1.47A22.40
SO4  B 695 (-2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
ALA A 108
LEU A 103
LEU A 112
LEU A  45
1.16A19.51
17.70
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 9
PHE B  90
LEU B  94
GLY B 100
LEU B 103
ASN B  96
1.36A14.20
20.29
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.48A11.43
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.
3BGR_A_T27A556_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Rilpivirine5 / 11
LEU B 106
CYH B  73
TYR B  87
TYR B  89
LEU B  45
1.59A14.29
13.32
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.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B  44
LEU B  29
GLN B  11
VAL B 102
THR B  67
1.78A16.73
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Theophylline4 / 8
PHE A  40
LEU A  94
ASN A  95
ILE A  91
1.36A13.19
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		Dasatinib5 / 12
LEU B  94
ALA B  43
GLY B 100
LEU B 103
SER A   5
1.19A21.10
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
PRO B  72
LYS A   3
LEU B  94
GLY B 100
LEU A  97
1.53A15.47
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		Cetirizine5 / 9
ALA A  16
ASP A  47
LEU A  45
LEU A  44
LEU A  69
1.76A12.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		Maraviroc4 / 5
TYR B  32
THR B  77
LEU B 112
MET B 101
1.74A14.98
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		Testosterone4 / 8
GLY A 100
LEU A 106
GLY A 104
LEU A 103
1.39A12.35
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.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.59A13.37
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.
5KBW_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU A  68
LEU A  51
LYS A  52
ALA A  28
ASN A  27
1.64A18.44
SO4  A 691 (-2.7A)
None
SO4  A 692 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		Adenosine5 / 12
LEU B 112
GLY A 100
GLY B 100
ALA B 107
LEU B 106
1.30A17.22
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 100
GLY B 104
LEU A 103
LEU A  97
SER A 105
1.48A19.56
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.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL A  41
ILE A  65
THR A  67
LEU A  44
ALA A  30
1.40A12.88
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.
1HZE_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 9
CYH A  23
LEU A  44
THR A  67
ILE A  65
THR A  21
1.75A22.94
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine4 / 8
ALA B  16
LEU B  69
ASP B  50
TYR B  89
1.39A19.55
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU A 103
VAL A 102
ILE A  65
ILE A  91
LEU A  94
1.37A17.86
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.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.57A13.37
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLY B 100
MET B 101
LEU B   9
PHE B  40
ASN B  33
1.44A18.44
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.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam4 / 6
VAL A 102
LEU A 103
LEU A  94
PHE A  56
1.42A11.19
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.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib5 / 12
LEU B  94
ALA B  43
GLY B 100
LEU B 103
SER A   5
1.12A14.72
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 5
LEU B  69
ALA B  30
THR B  67
PHE B  56
1.62A13.55
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.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
LEU A  44
VAL A 102
ILE A  91
LEU A  94
PHE A  90
1.62A17.68
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
LEU A   9
LEU A  94
LEU A 103
GLY A 104
1.33A19.51
17.70
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid4 / 8
ALA A  43
TYR A  31
LEU A  94
GLY A 100
1.10A20.81
18.94
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.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ILE A  65
ALA A  54
LEU A  44
CYH A  14
LEU A 106
1.43A17.94
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_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN B  33
ALA B  15
ALA B  16
LEU B  42
LEU B  44
1.22A19.56
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		Benzylpenicillin4 / 5
ASN B  27
ALA B  16
ALA B  15
ARG B  55
1.15A19.73
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A  97
GLY B 104
GLY A 100
LEU A 103
ALA B 108
1.55A17.51
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.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
SER B  46
ALA B  16
ALA B  15
ALA B  28
1.26A12.41
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid4 / 5
LEU B  88
LEU B 103
GLY B 100
GLY B 104
1.09A16.01
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.
4MMD_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 10
PRO B   6
VAL B   7
ALA A 107
SER B 105
GLY A 104
1.67A13.12
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.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid3 / 3
GLN B  20
THR B  19
THR B  21
0.97A18.03
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE B  56
LEU B  44
LEU B  69
0.83A12.16
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
GLY B 104
GLY A 104
ALA B 108
ALA A 108
1.42A11.95
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
LEU B  88
CYH B  73
PHE B  90
GLY A 100
LEU A  97
1.67A17.71
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.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.42A18.66
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Salicylic acid4 / 7
LEU A  88
TYR A  31
ALA A 107
SER A 105
1.37A11.98
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
PHE B  90
LEU B  45
LEU B   9
SER A 105
ALA B 107
1.49A11.21
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Methysergide6 / 12
VAL A 102
SER A 105
LEU A  88
PHE A  90
GLY B 100
VAL A 110
1.64A14.99
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 5
LEU B  94
PHE B  40
VAL B 102
ALA B  43
1.62A19.57
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.
2IJ7_D_TPFD2473_1
(CYTOCHROME P450 121)		Fluconazole5 / 10
THR A  64
ASN A  27
THR A  24
ALA A  22
GLN A  20
1.79A14.90
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime5 / 12
GLY B 104
ASN A  33
THR A 109
GLY A 104
GLY A 100
1.29A17.56
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		Tauroursodeoxycholic acid5 / 12
LEU B  94
THR B 109
LEU B 106
PHE B  90
VAL B  41
1.52A8.81
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		S-Adenosylmethionine5 / 12
CYH A  73
LEU B   9
LEU A 106
LEU A  45
PHE A  90
1.65A14.88
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.
1AQB_A_RTLA185_0
(RETINOL-BINDING
PROTEIN)		Vitamin A5 / 10
LEU A 112
ALA A  28
VAL A 110
LEU A 106
HIS A  48
1.77A16.67
None
None
None
None
SO4  A 693 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 6
PRO B  83
GLY B  82
THR B  79
LYS B  81
1.50A12.61
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		Hyoscyamine4 / 7
GLY B  17
TRP B  53
TYR B  89
PRO B  72
1.47A17.29
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU A  97
LEU A  94
PHE A  56
ALA A  30
ALA A  43
1.58A19.53
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
GLN A  20
ALA A  15
ALA A  54
THR A  67
1.35A13.45
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.
1Y0X_X_T44X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Levothyroxine4 / 5
ILE B  91
SER B  35
ARG B  39
LEU B  42
1.35A17.38
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.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A 100
GLY B 104
LEU B 103
ASN B  98
VAL B 102
1.42A7.80
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
PHE B  56
VAL B  41
PHE B  75
LEU B 106
ALA B  28
1.60A20.11
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		Salicylic acid4 / 7
VAL A 102
LEU A  88
LEU A  29
VAL A  41
1.23A21.71
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.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
ARG B  39
ALA B  30
CYH B  14
THR B  67
1.31A20.89
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
LEU B 103
ALA B  43
LEU B  45
PHE B  75
1.08A22.22
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE B  40
SER B  35
GLY B  37
ARG B  39
ILE B  65
1.52A10.85
13.73
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.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 5
LEU A  88
ALA A  43
LEU A  44
LEU A  94
1.54A5.34
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
PRO B  71
GLY B  93
LEU B  51
THR B  67
ALA B  54
1.41A19.42
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Tubocurarine4 / 8
THR A  62
ARG A  39
ILE A  65
ASP A  60
1.30A17.59
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		Nevirapine5 / 10
LEU B  44
VAL B 102
VAL B  41
TYR B  31
LEU B  45
1.78A14.15
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin5 / 12
GLY B 100
ASN B  33
GLY A 100
GLY A 104
ARG A  99
1.60A17.56
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.13A17.31
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine3 / 3
GLY B  93
GLU B  70
ASN B  95
0.98A16.96
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		Acetic acid4 / 6
LEU B  69
LEU B  42
VAL B  41
PHE B  90
1.52A12.34
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.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 107
ALA A 108
ARG B  10
LEU B   9
ALA B   8
1.56A15.34
None
None
SO4  B 695 (-2.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RJD_B_TFPB203_1
(CALMODULIN)		Trifluoperazine4 / 7
PHE B  90
LEU B  88
ALA B 107
MET A 101
1.77A18.02
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU B  88
LEU B   9
PHE B  90
0.89A14.86
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B  90
LEU B  88
LEU B  45
ALA B  43
LEU A  97
1.41A19.58
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A  45
THR A 109
LEU A   9
GLY A 100
PHE A  75
1.61A15.71
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.
3VYW_B_SAMB401_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY B 100
GLY A 104
LEU A 106
ASN A  98
LEU A  97
1.40A16.50
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.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		Acetic acid4 / 5
THR B  67
ILE B  91
PHE B  56
LEU B  44
1.75A21.47
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.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine5 / 7
LEU B 112
THR B 109
LEU B  29
LEU B  88
TYR B  31
1.65A21.05
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO B   6
LEU A 103
ARG A  99
1.46A16.71
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
CYH B  14
ALA B  28
LEU B  45
ALA B  43
VAL B  41
1.37A13.78
18.26
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		Betamethasone4 / 6
LEU B  88
LEU A   4
THR B  77
VAL B 110
1.31A17.86
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.
3U9F_N_CLMN221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
SER B 105
LEU B  45
PHE B  75
VAL B 110
PHE B  90
1.62A19.05
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 12
LEU A  45
LEU A  29
GLN A  11
LEU A 112
PHE A  90
1.28A15.89
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
ALA A  54
ILE A  91
ILE A  65
THR A  67
PHE A  40
0.95A14.98
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.61A13.37
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
GLN B 113
VAL B 110
LEU B 106
VAL B  85
LEU B  45
1.47A11.78
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A  42
LEU A  88
GLY B 104
SER A 105
LEU A 106
1.51A11.34
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.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
VAL B 110
LEU B 103
VAL B 102
PHE B  75
LEU B  94
1.25A14.66
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
SER B  46
ALA B  54
ARG B  55
ASP B  25
1.39A11.21
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
GLY A 104
LEU B   4
LEU A  88
ALA A  43
PHE A  90
1.44A21.16
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.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU B  45
PHE B  75
LEU B  88
PHE B  90
1.29A17.19
21.19
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.
1HRK_B_CHDB2503_0
(FERROCHELATASE)		Cholic Acid4 / 4
LEU A 106
PRO B   6
LEU A 103
ARG A  99
1.76A15.85
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.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 11
GLY A  38
MET A 101
LEU A  42
LEU A   9
MET A  12
1.60A17.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT7_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
LEU A 112
ALA A  28
VAL A 110
LEU A 106
HIS A  48
1.75A19.53
None
None
None
None
SO4  A 693 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		Acetic acid3 / 3
ARG B 111
GLY B  82
ASP B  78
1.20A12.81
20.51
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.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL B  41
LEU B  44
ALA B  30
SER B  59
ALA B  54
1.30A21.21
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.
5O96_E_SAME501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
LEU A 103
GLY B 104
SER B   5
LEU B  97
ARG B  99
1.65A19.42
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 5
LEU B  45
ALA B  30
LEU B  29
SER B  13
1.39A19.71
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.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 9
CYH A  73
ALA A  43
LEU A 103
LEU A 106
1.13A17.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B  94
ALA B  43
GLU A   3
GLY B 100
LEU B 103
1.34A18.15
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Ketoconazole5 / 12
PHE A  90
ALA A  30
LEU A 106
MET B 101
LEU A  88
1.41A13.22
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET B 101
LEU A 103
LEU A 106
ALA A 107
LEU A 112
1.23A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		Masoprocol4 / 6
LEU B  45
ALA B  30
LEU B  29
SER B  13
1.37A16.98
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.
3ROZ_A_NCAA266_0
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		Nicotinamide4 / 6
LEU A  45
ALA A 107
LEU A 112
THR A  77
1.30A19.31
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		Phenylbutazone6 / 12
PHE B  90
LEU B  45
LEU B   9
ALA A 108
SER A 105
ALA B 107
1.42A11.21
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.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		Niacin4 / 6
ARG B  39
SER B  59
GLY B  61
THR B  62
1.65A15.36
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.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
VAL B  41
LEU A  97
MET A 101
1.31A12.00
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
ALA A  30
VAL A  41
GLN A  20
ARG A  39
ILE A  65
1.53A15.49
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
LEU B  94
ALA B  43
GLU A   3
GLY B 100
LEU B 103
1.36A16.31
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.47A11.78
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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER B  13
LEU B  88
ALA B  43
LEU B  45
1.18A19.71
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		Timolol3 / 3
THR A 109
SER A 105
PHE A  75
0.73A11.63
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.
3SMT_A_ACTA1001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		Acetic acid4 / 5
LEU B  94
GLY B  93
PHE B  90
ARG B  99
1.73A13.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac5 / 12
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.31A11.34
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		Indomethacin5 / 12
LEU B  45
PHE B  75
GLY A 100
LEU B 103
PHE B  90
1.50A18.48
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
GLN B 113
VAL B 110
LEU B 106
VAL B  85
LEU B  45
1.47A11.78
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 11
LEU B  94
ALA B  30
ALA B  43
LEU A  97
LEU B 103
1.30A19.53
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		Vitamin A5 / 11
LEU A  97
PHE B  56
ALA B  30
ALA B  43
LEU B 103
1.72A19.53
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.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR B 109
SER B 105
TYR B  31
1.73A10.20
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
ILE A  91
LEU A  42
VAL A 102
ALA A 108
1.10A21.30
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
GLN B 113
VAL B 110
LEU B 106
VAL B  85
LEU B  45
1.43A11.43
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.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		Diflunisal5 / 11
PHE B  90
ALA B  43
ALA B  30
ALA B  16
LEU B  88
1.37A11.21
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
LEU B  45
SER B  46
PHE B  56
ILE B  91
LEU B  69
1.40A18.96
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime5 / 12
GLY B 104
ASN A  33
THR A 109
GLY A 104
GLY A 100
1.28A17.56
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
TYR A  32
VAL A  41
GLY A  38
ARG A  39
1.55A13.97
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		Paroxetine5 / 12
GLY B 104
GLY B 100
LEU A  97
SER A   5
ALA B 107
1.22A10.26
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.
4ZBR_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU B 112
LEU B  45
TYR B  31
SER A   5
LEU B 103
1.79A12.59
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
PHE B  90
SER B 105
LEU B  45
PHE B  75
VAL B 110
1.63A19.05
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.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		Ibuprofen5 / 11
LEU B 103
VAL B 110
ALA B 107
LEU B 112
SER A   5
1.49A11.21
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A  42
LEU A   9
VAL A 102
SER A 105
VAL A  41
1.50A17.39
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		Imatinib5 / 12
VAL A  41
ILE A  65
THR A  67
LEU A  44
ALA A  30
1.32A15.73
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.
5TWJ_D_SAMD201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 11
LEU B  97
GLY B 100
GLY B 104
LEU B   4
SER B   5
1.31A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		S-Adenosylmethionine5 / 12
GLY B 100
GLY B 104
SER A 105
LEU A 103
LEU B  94
1.31A19.70
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		Sorbitol5 / 12
LEU A 103
PRO B   6
VAL B   7
PHE A  75
LEU A  88
1.63A18.72
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
LEU A   4
GLU A   3
SER A   5
1.40A16.67
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid5 / 12
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.46A12.00
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 106
GLY B 104
GLY A 100
VAL B 102
ALA B  43
1.42A17.11
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A  42
LEU A   9
SER A  35
ALA A   8
1.59A15.65
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.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid5 / 9
ALA A  16
SER A  46
LEU A  44
LEU A  69
HIS A  48
1.67A17.18
None
None
None
None
SO4  A 693 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B  15
LEU B  51
LYS B  52
ILE B  91
THR B  24
1.52A19.21
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.
1A29_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
ILE A  91
LEU A  69
ALA A  30
VAL A  41
1.25A20.26
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole6 / 11
SER B  13
ALA B  43
VAL B 110
LEU B 106
ALA B 108
ALA A 108
1.73A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_A_SAMA501_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A  31
GLY B 104
GLY A 100
LEU B  97
ALA B 108
1.61A16.50
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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		Tretinoin6 / 12
PHE B  90
LEU B  29
ALA B  43
VAL B  41
LEU A  97
ARG B  99
1.73A19.05
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
PHE A  56
SER A  13
ASN A  27
GLY A  17
ALA A  54
1.44A8.69
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		Dasatinib5 / 12
LEU B  94
ALA B  43
GLU A   3
GLY B 100
LEU B 103
1.35A15.79
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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 101
LEU B 103
ALA B 107
LEU B 112
LEU A   9
1.80A18.80
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
ASN B  33
GLY A 104
VAL B 102
SER B 105
1.09A13.09
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.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY B 104
ASN A  33
THR A 109
GLY A 104
GLY A 100
1.30A18.63
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 10
VAL B 102
GLY B 100
ALA B  43
LEU B  94
ASN B  96
1.72A8.64
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 101
LEU B 103
ALA B 107
LEU B 112
LEU A   9
1.76A17.97
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.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 6
LEU A 103
LEU B  97
LEU A  97
LEU A  94
LEU A   9
1.57A25.16
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.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin4 / 5
ALA A  43
ALA A 107
ALA A 108
GLN A  11
1.26A16.85
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.
2IJ7_F_TPFF2474_1
(CYTOCHROME P450 121)		Fluconazole5 / 10
THR A  64
ASN A  27
THR A  24
ALA A  22
GLN A  20
1.78A14.90
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.
1ETA_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU B  88
GLU B  70
ALA B  43
LEU B  45
1.35A19.71
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA B  54
TYR B  87
THR B  18
GLY B  17
ALA B  16
1.62A19.85
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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		Adenosine4 / 4
VAL A 110
ALA A 107
LEU A  88
PHE A  75
1.55A16.06
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU B  45
PHE B  75
LEU B  88
PHE B  90
1.31A17.19
21.19
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.
1LII_A_ADNA699_2
(ADENOSINE KINASE)		Adenosine4 / 4
SER B 105
LEU B  88
TYR B  31
GLY B 100
1.55A15.41
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		Losartan4 / 4
PHE A  90
LEU B  42
LEU B  97
VAL B   7
1.77A12.85
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		Tretinoin6 / 12
PHE A  90
LEU A  88
ALA A  43
VAL A  41
LEU B  97
ARG A  99
1.60A19.31
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.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.60A13.37
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU B 103
SER B 105
LEU B  42
ASN B  33
1.27A13.47
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B  15
LEU B  51
LYS B  52
ILE B  91
THR B  24
1.56A18.54
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
TYR A  31
LEU A  45
ASP A  47
THR A 109
1.19A19.90
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine5 / 12
PRO B   6
LEU A 112
GLY B 104
LEU A   9
LEU A 106
1.74A11.06
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.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
ALA A  43
TYR A  31
PRO B   6
1.15A13.06
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.40A17.06
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 7
GLU B  70
GLU A   3
GLY B 100
ARG B  99
1.39A19.44
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A  45
LEU A 103
LEU A  94
THR A  67
PHE A  56
1.68A17.72
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.
1ETB_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A  88
GLU A  70
ALA A  43
LEU A  45
1.43A19.71
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal5 / 10
PHE B  90
ALA B  43
ALA B  30
ALA B  16
LEU B  88
1.35A11.21
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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE A  40
LEU A   9
VAL A 102
MET A 101
1.28A11.21
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.
1GTI_C_CCSC47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 6
THR B 109
LEU B 106
GLY B 104
TYR B  31
1.44A21.05
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
GLY A 104
GLY A 100
SER B 105
VAL B 102
ASN B  33
1.51A13.70
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.
2V57_A_PRLA1188_0
(TETR FAMILY
TRANSCRIPTIONAL
REPRESSOR LFRR)		Proflavine4 / 8
HIS B  48
SER B  46
ASN B  27
ASP B  50
1.72A25.00
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
GLY A 104
GLY B 104
LEU A 103
LEU A   9
ALA A 108
1.31A18.60
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.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		Benzoic Acid5 / 10
GLY A 100
GLY A 104
LEU A 103
LEU A  88
TYR A  31
1.15A20.51
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU B  94
ALA B  43
LEU B  42
GLY B 100
LEU B 103
1.21A17.31
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY B  93
ARG B  55
LEU B  51
ALA B  54
ALA B  16
1.40A17.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU A 112
GLY B 100
GLY A 100
ALA A 107
LEU A 106
1.32A13.47
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine6 / 12
GLY B 100
GLY B 104
SER A 105
GLY A 104
LEU A 103
LEU A  97
1.30A17.50
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.
4QVN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
THR A 109
ALA B 107
THR B 109
VAL A 102
GLY A 104
1.75A19.89
21.52
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ASN A  33
GLY A 100
GLY B 100
ASN B  96
ASN A  95
1.46A21.59
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.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir4 / 8
ALA B  15
ASP B  26
ASP B  25
THR B  21
1.23A16.81
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.
3BXO_A_SAMA238_0
(N,N-DIMETHYLTRANSFER
ASE)		S-Adenosylmethionine5 / 12
ALA A  30
LEU A  29
SER A  13
TYR A  32
LEU A   9
1.72A16.53
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR B  24
ASP B  25
ALA B  15
1.43A16.09
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)		Eplerenone5 / 12
LEU B 112
ALA B 108
SER B 105
LEU B 103
LEU B  45
1.48A18.79
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.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 12
LEU A  94
VAL A 102
GLN A  11
ILE A  91
ALA A  54
1.24A19.28
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 109
THR A  77
GLN A 113
ALA A 108
ALA B   8
1.59A21.27
19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.52A17.72
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.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU A  88
ILE A  91
PHE A  90
GLY A 100
0.94A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		Febuxostat5 / 12
LEU A  29
LEU A  45
PHE A  75
VAL A 102
ALA A 107
1.40A7.12
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.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		Benzoic Acid3 / 3
SER A   5
VAL B 110
LEU B 112
1.08A12.21
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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
ASN B  96
LEU B  94
ALA B  43
LEU B  42
1.37A13.16
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY B 104
ASN A  33
THR A 109
GLY A 104
GLY A 100
1.26A18.63
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.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 11
PHE B  56
ARG B  10
LEU B 106
ARG B  39
LEU B  42
1.61A12.27
None
SO4  B 695 (-2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Osimertinib5 / 8
LEU B 106
GLY B 104
VAL B 102
ALA B  43
LEU B  45
1.48A18.07
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.
3BOG_C_DVAC47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Valine4 / 4
GLY B 104
GLY B 100
GLY A 100
GLY A 104
1.18A18.80
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
ALA B  30
ALA B  28
VAL B  41
ILE B  65
1.12A12.41
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A  45
ALA A  43
LEU A  42
GLY A 104
LEU A 103
1.52A17.83
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		Tofacitinib5 / 12
GLY A 100
GLY A 104
VAL B 102
ALA B  43
ASN B  95
1.23A16.50
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.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		Liothyronine5 / 12
LEU B   9
VAL B 110
LEU B  45
ALA B  43
LEU B  29
1.34A18.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol6 / 12
LEU A  42
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.58A17.19
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		Diflunisal5 / 9
ARG A  55
LEU A  51
HIS A  48
LEU A  44
ALA A  15
1.66A11.21
None
None
SO4  A 693 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN B  33
ALA B  15
ALA B  16
LEU B  42
LEU B  44
1.26A18.02
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.37A11.78
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		Tamibarotene6 / 12
LEU A  88
THR B 109
THR A 109
VAL A 110
GLY A 100
LEU B 112
1.79A19.05
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.61A17.65
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY B 104
LEU B 103
PHE B  75
LEU B 112
VAL B 110
0.98A15.32
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 8
PHE B  56
LEU B  88
ALA B  28
LEU B  51
ALA B  54
1.51A22.22
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.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine5 / 10
LEU A 106
GLY A 104
GLY B 100
VAL A 102
SER B   5
1.19A18.66
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.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 5
PRO B  83
GLY B  82
THR B  79
LYS B  81
1.48A12.81
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.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
PRO B  72
LYS A   3
LEU B  94
GLY B 100
LEU A  97
1.51A15.51
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		Doxercalciferol4 / 5
ASN A  33
LEU B  97
GLY A 100
THR A 109
1.31A15.42
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLY A 104
GLY A 100
ASN B  96
LEU A 106
ALA A 108
1.22A16.86
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.38A18.66
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU A  42
ALA A  30
LEU A  69
PRO A  72
ARG A  99
1.53A21.52
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.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU B  42
ALA B  43
LEU B  88
MET A 101
1.53A17.72
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.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU B  45
LEU B  44
ALA B  43
GLY B 104
LEU B 103
1.28A17.10
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		Ibandronate4 / 8
ASP B  26
ASP B  25
ARG B  55
MET B  12
1.46A15.88
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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		Cholic Acid5 / 11
LEU A  97
LEU B  42
MET A 101
LEU B 103
CYH B  73
1.50A15.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Mercaptopurine4 / 6
PHE B  56
THR B  67
ALA B  28
ALA B  16
1.47A9.94
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ALA B  15
LEU B  51
LYS B  52
ILE B  91
THR B  24
1.68A18.54
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.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 107
ALA A 108
ARG B  10
LEU B   9
ALA B   8
1.58A20.08
None
None
SO4  B 695 (-2.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine5 / 12
ALA A   8
ASN A  33
SER A  35
TYR A  32
LEU A   9
1.76A12.34
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		Tamoxifen5 / 12
ALA B  43
SER B  35
LEU B   9
MET B 101
LEU B   4
1.42A12.21
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
HIS B  48
ASP B  50
ALA B  16
TYR B  89
1.71A15.59
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.
2O01_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 8
PHE B  75
SER A   5
ALA B 107
LEU B 112
1.47A8.97
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.
4WBO_D_ANWD601_0
(RHODOPSIN KINASE)		Amlexanox5 / 8
LEU B  94
ALA B  43
GLY B 100
LEU B 103
SER A   5
1.35A12.50
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac5 / 11
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.44A11.34
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.
5E4D_B_BEZB202_0
(HYDROXYNITRILE LYASE)		Benzoic Acid4 / 7
VAL B 110
THR B 109
LEU B  88
VAL B 102
1.38A16.19
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
VAL A   7
ASN A  33
ALA B 107
ALA B 108
LEU A  29
1.23A19.56
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 9
ALA B 107
MET A 101
GLY B 100
LEU B 103
SER A   5
1.73A18.96
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE B  91
VAL B  41
ALA B  15
ARG B  55
TRP B  53
1.54A15.20
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Valine3 / 3
GLY B 104
GLY A 100
GLY A 104
0.76A18.80
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime5 / 12
GLY B 104
TYR A  31
THR A 109
GLY A 104
GLY A 100
1.30A18.70
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
THR A 109
THR B 109
GLY A 104
SER A 105
GLY B 104
1.52A14.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU B  45
VAL B 102
GLY B 104
MET A 101
1.35A15.85
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU A  42
LEU A  88
GLY B 104
SER A 105
LEU A 106
1.47A11.34
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU B  51
ALA B  54
LEU B  69
ALA B  43
ALA B  28
1.20A19.28
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.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		Levothyroxine5 / 11
LEU B  45
ALA B  43
LEU B   9
THR B 109
VAL B 110
1.41A19.71
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		Vitamin A5 / 12
PHE A  90
LEU A  88
ALA A  43
LEU A  42
PHE B  40
1.47A21.71
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.
4J24_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET B 101
LEU A 103
LEU A 106
LEU A 112
LEU B   9
1.60A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
LEU A 106
TYR A  31
ALA B 107
LEU A  94
LEU A   9
1.70A19.59
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		Cefotaxime5 / 12
ALA B 107
TYR A  31
THR A 109
GLY B 104
GLY B 100
1.38A17.69
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.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)		Niacin4 / 8
PHE A  90
LEU A  45
TYR A  31
LEU A 106
0.97A13.05
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.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA A  15
LEU A  69
LEU A  44
LEU A  94
PHE A  56
1.59A17.94
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 9
LEU B  44
VAL B 102
VAL B  41
TYR B  31
LEU B  45
1.78A12.01
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 12
LEU A  88
SER B   5
TYR A  31
GLY A 104
ALA A 107
1.43A11.78
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.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 12
GLN A  11
LEU A 106
SER B   5
LEU A  45
LEU A 112
1.44A17.35
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A  45
THR A 109
LEU A   9
GLY A 100
PHE A  75
1.60A15.71
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
ARG A  39
LEU A  29
SER A  13
LEU A   9
1.30A11.78
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU B  45
ALA B  43
LEU B  42
GLY B 104
LEU B 103
1.57A18.40
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid6 / 10
VAL B 110
PHE B  56
VAL B  41
TYR B  32
ASN B  27
LEU B  45
1.77A11.19
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.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime3 / 3
CYH B  23
PRO B  57
ASP B  26
1.78A18.63
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
LEU A  42
GLY B 100
GLY B 104
ASN A  98
LEU A  97
1.42A19.43
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide6 / 11
SER B  13
ALA B  28
LEU B 106
SER B  46
LEU B  45
LEU B 112
1.75A16.47
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.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
GLY A 104
GLY A 100
SER B 105
VAL B 102
ASN B  33
1.51A13.70
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.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
ALA A 108
LEU B   9
PHE B  90
LEU B  45
THR A 109
1.53A10.03
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
CYH B  23
THR B  24
ASN B  27
GLY B  17
1.46A14.18
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.
2ACL_A_REAA502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin6 / 12
ALA A 107
ALA A 108
ARG B  10
LEU B   9
ALA B   8
LEU B 112
1.69A20.08
None
None
SO4  B 695 (-2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHE_H_T44H301_1
()		Levothyroxine5 / 9
TYR B  89
ALA B  43
TYR B  31
TYR B  87
LEU B 106
1.58A20.80
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU B  45
PHE B  75
LEU B  88
PHE B  90
1.26A17.19
21.19
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
ALA B  30
LEU B  45
LEU B  94
ILE B  91
LEU B 103
LEU B 106
1.78A16.93
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR A 109
ALA A 107
LEU A 103
LEU A 112
ARG B  10
1.70A16.39
None
None
None
None
SO4  B 695 (-2.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A  89
GLY A  17
ALA A  54
SER A  46
LEU A  29
1.66A18.34
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		Sorbitol3 / 3
GLY B  63
ASP B  60
SER B  59
1.56A13.87
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU B  45
PHE B  75
LEU B  88
PHE B  90
1.30A17.19
21.19
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
PHE B  40
LEU B   9
VAL B 102
LEU B  94
1.27A11.21
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.
2V0Z_C_C41C1328_1
(RENIN)		Aliskiren5 / 12
VAL B 110
GLY B 104
SER B 105
TYR B  31
SER A   5
1.57A17.06
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 5
PHE B  56
THR B  67
LEU B  69
ALA B  16
1.73A7.30
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		Propofol4 / 6
LEU B  42
TYR B  31
LEU B  45
LEU B   9
1.32A22.62
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA A 107
GLY A 100
GLY A 104
LEU B 103
LEU B  97
1.37A17.50
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_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.54A17.72
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B  94
ALA B  43
LEU B  42
GLY B 100
LEU B 103
1.22A17.47
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.
4FGZ_B_CQAB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
GLU B  70
GLU A   3
GLY B 100
ARG B  99
1.46A19.44
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
THR A  67
PHE A  56
ALA A  54
LEU A  42
VAL A 102
1.47A18.54
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.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
SER B 105
LEU B  45
PHE B  75
VAL B 110
PHE B  90
1.66A19.05
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY B 104
LEU B 103
PHE B  75
LEU B 112
VAL B 110
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.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib5 / 12
LEU A  88
LEU A 112
PHE A  90
GLY A 100
SER A 105
1.39A11.34
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.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
LEU B  94
ALA B  43
GLU A   3
GLY B 100
LEU B 103
1.44A18.53
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 110
ASP A  78
LEU B   4
LEU A 103
ALA A 107
1.38A18.26
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Ruxolitinib5 / 9
LEU B   9
ALA B  43
TYR B  31
GLY B 104
LEU B 103
1.70A18.53
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 101
LEU B 103
LEU B 106
ALA B 107
LEU A   9
1.48A18.29
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU B  45
GLN B  11
LEU B  88
PHE B  90
1.51A17.19
21.19
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.60A13.37
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		Agmatine4 / 6
SER B  59
GLY B  38
ASN B  34
ILE B  65
1.17A12.58
None
None
SO4  B 695 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide6 / 12
LEU A  97
GLY A 100
LEU A   9
VAL A   7
ILE A  91
VAL A  41
1.75A16.73
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine6 / 10
LEU A   9
GLY A 100
GLY B 100
GLN A  11
SER A 105
LEU A 103
1.59A18.79
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
PHE A  90
LEU A  88
ALA A  43
THR A 109
1.20A16.62
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 9
LEU B  88
ILE B  91
ALA B  30
GLY A 104
LEU B   9
1.55A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
GLY A 100
GLY B 104
LEU A   9
GLU A  70
LEU A  94
1.40A17.50
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		Desipramine5 / 12
LEU B  94
LEU B  42
ILE B  91
ALA B  30
LEU B  69
1.49A12.63
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.
2Q72_A_IXXA801_1
(TRANSPORTER)		Imipramine5 / 11
LEU B  94
LEU B  42
ILE B  91
ALA B  30
LEU B  69
1.51A12.63
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.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
ALA B  28
ALA B  15
LEU B  88
LEU B  45
LEU B  94
1.41A21.61
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Hyoscyamine4 / 7
GLY B  17
TRP B  53
TYR B  89
PRO B  72
1.47A17.29
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.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 11
LEU B  45
SER B  46
PHE B  56
ILE B  91
LEU B  69
1.49A18.96
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.
1DF7_A_MTXA501_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
TRP B  53
ARG B  74
THR B  18
1.75A21.79
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
ALA A  43
ALA A  54
SER A  46
LEU A  45
ALA A  28
1.42A12.59
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone4 / 6
MET A  12
ALA A  54
LEU A  44
ALA A  28
1.49A12.72
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B  90
LEU B  88
LEU B  45
ALA B  43
LEU A  97
1.26A18.57
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.
4MMB_A_SREA603_1
(TRANSPORTER)		Sertraline5 / 9
PRO B   6
VAL B   7
ALA B   8
GLY A 100
SER B 105
1.57A13.12
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		Posaconazole5 / 12
ALA A  15
LEU A  88
PHE A  90
GLY A 100
LEU A   9
1.31A14.76
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.
1WRL_E_TFPE212_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 7
PHE A  40
PHE A  56
LEU A  69
MET A 101
1.51A18.27
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.
3LXI_A_CAMA423_0
(CYTOCHROME P450)		Camphor5 / 10
TYR A  31
LEU A  29
LEU A  45
THR A  77
VAL A 110
1.72A13.39
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU B 112
GLY A 100
GLY B 100
LEU B 106
ASN A  98
1.39A15.41
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.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A  94
LEU A  42
LEU A   9
GLN A  11
MET A  12
1.79A16.73
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL A  41
ARG A  74
PRO A  72
0.98A11.93
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.
2PNJ_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 4
LEU A 106
PRO B   6
LEU A 103
ARG A  99
1.75A15.85
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.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 108
LEU B   9
PHE B  90
LEU B  45
THR A 109
1.52A17.48
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.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 9
LEU A  44
VAL A 102
ILE A  91
LEU A  94
PHE A  90
1.69A17.68
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.
4XRG_B_AG2B502_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine5 / 12
ALA A   8
ASN A  33
SER A  35
TYR A  32
LEU A   9
1.76A12.34
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.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 101
ALA B 108
LEU B 103
TYR A  32
THR B  77
1.66A22.40
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.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU B  45
ALA B  43
LEU B  42
GLY B 104
LEU B 103
1.57A17.90
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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
PHE A  90
LEU A  88
GLY A 104
TYR A  31
1.22A19.90
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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
GLY A 100
LEU B   4
PRO B   6
ALA A  43
PHE A  90
1.46A21.16
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib5 / 12
ALA B  54
ILE B  65
THR B  67
SER B  46
PHE B  40
1.22A17.78
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.
3VYW_D_SAMD401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A  31
GLY B 104
GLY A 100
LEU B  97
ALA B 108
1.59A16.50
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
PHE B  90
LEU B  45
LEU B   9
SER A 105
ALA B 107
1.53A11.21
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU A  45
LEU A  44
ALA A  43
GLY A 104
LEU A 103
1.24A17.90
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 9
LEU A  88
PHE A  90
GLU A  70
VAL A 102
ASN A  98
1.79A16.20
14.81
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 101
LEU B 103
ALA B 107
LEU B 112
LEU A   9
1.75A17.83
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU B 112
GLY A 100
GLY B 100
ALA B 107
LEU B 106
1.32A16.33
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 11
CYH B  14
ALA B  28
LEU B  45
ALA B  43
VAL B  41
1.44A18.26
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B  90
LEU B  45
ALA B  43
SER B 105
LEU A  97
1.71A19.01
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.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac4 / 8
LEU B  88
ALA B  43
LEU B  45
SER B  13
1.19A19.71
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.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
LEU B  97
GLY B 100
GLY B 104
LEU B   4
SER B   5
1.28A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU B  45
GLN B  11
LEU B  88
PHE B  90
1.56A17.19
21.19
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.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.56A17.72
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.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.40A18.52
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.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
LEU B  45
SER B  46
PHE B  56
ILE B  91
LEU B  69
1.45A18.96
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		Acarbose4 / 6
ALA B  16
SER B  59
LEU B  69
TRP B  53
1.21A13.17
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.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline6 / 12
LEU A  42
GLN A  11
ALA A  43
PHE A  90
LEU A 103
THR A 109
1.78A13.02
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.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib6 / 12
LEU B  94
ALA B  43
GLU A   3
GLY B 100
LEU B 103
SER A   5
1.68A14.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
VAL B 110
SER A   5
LEU B  94
LEU B  45
1.24A11.34
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.
2OCF_A_ESTA596_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET A 101
LEU B 103
ALA B 107
LEU B 112
LEU A   9
1.79A16.96
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.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine3 / 3
LYS B  84
ASP B  25
ASP B  47
1.61A20.41
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET A 101
LEU B 103
ALA B 107
LEU B 112
LEU A   9
1.80A17.83
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		Ceritinib5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.22A13.90
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.
4MJR_A_0LAA404_1
(DNA POLYMERASE III
SUBUNIT BETA)		Carprofen5 / 9
ARG B  55
TYR B  66
LEU B  44
VAL B  41
MET B  12
1.80A15.30
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.
4MMA_A_CXXA603_1
(TRANSPORTER)		Clomipramine5 / 11
PRO B   6
VAL B   7
ALA A 107
SER B 105
GLY A 104
1.58A12.90
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS B  52
ASP B  50
ILE B  91
1.54A18.44
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.
5JKV_A_ASDA602_1
(AROMATASE)		4-Androstenedione5 / 12
ILE A  91
PHE A  90
ALA A  54
LEU A 106
LEU A  88
1.54A12.70
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		Acetic acid3 / 3
LYS B   4
PRO B   6
LEU A  88
1.66A19.30
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.
3BGD_A_PM6A301_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 6
GLY A 104
ALA A 107
LEU A  88
PRO B   6
1.32A18.70
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  53
GLN A  49
THR A  18
1.23A21.38
None
SO4  A 693 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		Dasatinib5 / 12
LEU B  94
ALA B  43
GLY B 100
LEU B 103
SER A   5
1.08A21.10
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.17A17.31
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  90
LEU B  94
GLY B 100
LEU B 103
ASN B  96
1.37A14.20
20.29
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.
1MZ9_A_VDYA1002_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
ILE A  91
LEU A  42
VAL A 102
ALA A 108
1.09A21.30
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A  94
GLY A  93
ALA A  43
GLY A 100
LEU A 103
1.25A17.76
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.
4MM5_A_SREA603_1
(TRANSPORTER)		Sertraline5 / 9
PRO B   6
VAL B   7
ALA B   8
GLY A 100
SER B 105
1.56A12.90
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.
1A28_A_STRA1_1
(PROGESTERONE
RECEPTOR)		Progesterone5 / 12
LEU A  45
LEU A  29
GLN A  11
LEU A 112
PHE A  90
1.18A15.87
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 12
ALA B  16
ALA B  28
LEU B 112
TYR B  87
LEU B  88
1.62A19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		Halothane5 / 8
ALA B  16
LEU B  45
LEU B  44
LEU B  51
LYS B  86
1.54A11.21
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA A  16
HIS A  48
ASN A  27
ALA A  15
ARG A  55
1.71A19.70
None
SO4  A 693 (-4.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU A  94
ALA A  43
LEU A 106
GLY A 100
LEU A 103
0.97A16.03
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
ALA B  30
ARG B  99
THR B 109
SER A   5
LEU B 103
1.37A12.53
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
ASN B  33
TYR B  31
LEU B  42
LEU A 103
GLY A 104
1.64A18.45
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
VAL B 110
SER A   5
LEU B  94
LEU B  45
1.29A11.34
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		Acetylsalicylic acid4 / 4
LEU B  69
GLY B  17
ASP B  50
TYR B  89
1.33A20.44
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
VAL A 102
LEU A 103
LEU A  94
PHE A  56
LEU A  88
1.33A11.19
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B  15
LEU B  51
LYS B  52
ILE B  91
THR B  24
1.65A18.95
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A  41
LEU A  45
ALA A  43
LEU A 106
THR A 109
1.26A18.26
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 10
PHE A  56
SER A  13
ASN A  27
GLY A  17
ALA A  54
1.42A8.69
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.
5IEN_A_VDYA201_2
(CDL2.2)		Calcidiol5 / 12
ILE B  91
LEU B  94
LEU B  45
GLY A 104
LEU B  69
1.37A21.26
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.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
GLU B  70
LEU B  45
VAL B  41
LEU B  42
GLY B 100
1.62A14.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU A  88
ALA A  43
LEU B   4
ASN A  96
1.33A16.62
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.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		Adenosine5 / 5
LEU B 103
SER B 105
LEU B  42
LEU B  88
ASN B  33
1.74A13.47
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A  97
ASN A  98
LEU B  97
GLY A 100
VAL B 102
1.61A16.67
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.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.40A18.06
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		L-Histidine5 / 12
THR B 109
LEU B  45
TYR B  31
GLY B 104
ALA B 107
1.52A14.01
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.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU B  88
SER A   5
VAL B 110
LEU B 112
LEU B 103
1.36A11.22
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine6 / 12
THR A 109
GLY A 104
SER A 105
ALA B 107
LEU B 106
PHE B  40
1.61A17.21
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine4 / 6
LEU B  97
GLY B 100
LEU B   4
SER B   5
1.29A19.00
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A   9
ALA A   8
LEU A  42
0.58A15.65
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER B  13
LEU B  88
ALA B  43
LEU B  45
1.18A19.71
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.
1TZ8_D_DESD128_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 4
LYS A  86
LEU A  45
LEU A  88
SER B   5
1.79A19.71
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.56A13.37
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		Dopamine4 / 7
ALA A  30
PHE A  56
ALA A  54
LEU A  44
1.07A14.39
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
TYR A  89
ASN A  27
LEU A  51
1.28A12.81
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.
1ERR_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU B   9
LEU B  94
LEU A  88
LEU A  45
1.03A16.47
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 10
ALA B 108
GLY B 104
LEU B  45
LEU B 112
LEU B 103
1.49A16.22
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG A  55
PHE A  56
ASN A  27
ASP A  26
1.61A13.37
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 9
GLY B 100
LEU B   9
LEU B  42
LEU B  97
ASN B  96
1.37A16.22
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
LEU B  88
TYR B  31
PHE B  90
GLY B 104
LEU B 112
1.40A11.34
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
THR A 109
ALA B 108
THR B 109
GLY A 104
GLY B 104
1.61A19.89
21.52
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.
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
TYR A  31
VAL A 102
GLY B 100
ASN A  33
VAL A   7
1.79A17.03
22.99
19.81
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLY A 100
ASN B  96
LEU A 106
ALA A 108
THR A 109
1.20A16.86
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		Cholic Acid4 / 4
LEU A 106
PRO B   6
LEU A 103
ARG A  99
1.65A15.85
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU B  88
GLU B  70
ALA B  43
LEU B  45
1.35A19.71
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.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
LEU A   9
GLY A 100
ASN A  98
ALA A  43
PHE A  40
1.47A18.44
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLY A 104
GLY A 100
ASN B  96
LEU A 106
ALA A 108
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU B  42
VAL B  41
ALA B  43
LEU B  44
GLY B  93
1.67A13.74
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.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B  28
ALA B  16
THR B  67
ILE B  65
ARG B  39
1.60A18.54
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU A  88
ILE A  91
PHE A  90
GLY A 100
0.90A19.82
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.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
LEU B  69
TRP B  53
ARG B  55
GLY B  17
1.48A6.67
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.
4MMD_B_29EB603_1
(TRANSPORTER)		Duloxetine5 / 12
PRO B   6
VAL B   7
ALA B   8
GLY A 100
SER B 105
1.57A13.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECX_A_SAMA1301_0
(STIE PROTEIN)		S-Adenosylmethionine5 / 12
LEU A 103
GLY B 100
GLY A 100
VAL B 102
LEU B  42
1.34A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 7
PHE A  56
LEU A  44
LEU A  69
ARG A  55
1.38A23.33
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU A  97
LEU A 103
SER A 105
LEU A   9
1.63A17.65
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.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU B  45
VAL B 102
GLY B 104
MET A 101
1.34A15.85
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
ARG B  10
GLN B  11
TYR B  31
ASP A  78
1.40A22.40
SO4  B 695 (-2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		Diazepam5 / 12
LEU B  44
ILE B  91
LEU B 106
VAL B 102
LEU B  88
1.65A11.21
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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)		Aminocaproic Acid5 / 12
GLY B  37
SER B  35
LYS B  36
GLN B  11
LEU B  42
1.54A15.62
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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		Bepridil5 / 12
ILE B  91
PHE B  40
LEU B   9
LEU B  45
LEU B  88
1.29A18.01
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.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 7
LEU B  69
LEU B  29
ILE B  91
GLY B  93
LEU B  94
1.39A5.34
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		Caffeine4 / 7
PHE A  40
LEU A  94
ASN A  95
ILE A  91
1.41A15.56
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		Boceprevir5 / 12
GLN A  11
SER A 105
ALA B 108
ALA B 107
VAL B 110
1.38A17.07
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		Eribulin5 / 11
VAL B  76
ASP B  78
THR B  79
PRO A   6
LEU A   4
1.78A18.26
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 10
LEU B  97
GLY B 100
GLY B 104
LEU B   4
SER B   5
1.32A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 100
GLY B 104
SER A 105
LEU A 103
LEU A  97
1.21A16.73
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
TYR A  32
ASN A  33
ARG A  39
ALA A  54
ALA A  16
1.77A20.41
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine4 / 6
LEU B  42
LEU B  94
LEU B 106
LEU B 103
1.36A20.15
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.
5D0Y_A_FOLA201_1
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid3 / 3
ARG B  99
LYS B  92
GLU B  70
1.37A17.65
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU B 106
SER B 105
ALA A 108
LEU B 112
1.25A22.62
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU B 106
SER B 105
ALA A 108
LEU B 112
1.23A22.62
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		Propofol3 / 3
PHE B  90
LEU B 106
SER A   5
1.47A11.21
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 7
VAL B 102
GLY B 104
MET B 101
LEU A 103
1.28A17.32
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.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 104
GLY B 100
ALA A   8
LEU B   9
ALA B  43
1.38A17.60
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.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		Cholic Acid5 / 12
PHE A  75
VAL A 110
PHE A  56
VAL A  41
LEU A  88
1.41A16.80
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.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
HIS B  48
ASP B  50
ALA B  16
TYR B  89
1.71A15.59
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL A  41
LEU B 103
ILE A  65
ILE A  91
1.28A17.85
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 6
LEU B  45
ALA B  30
LEU B  29
SER B  13
1.40A19.71
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU B  94
ALA B  43
LEU B 106
GLY B 100
LEU B 103
1.08A16.03
None