PDB ID: 5f22


Macromolecule:
NSP7

Source Organism:
SARSr

Gene names:
-

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5f22'

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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
ALA B 115
LEU A  65
VAL B 135
ILE B 125
LEU B 133
1.57A20.93
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
VAL A  27
GLY A  69
LEU A  25
ILE A  73
LEU A  65
PRO B 121
1.69A15.14
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.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		Methimazole3 / 3
ASN B 123
TYR B 154
SER A  59
1.57A17.89
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.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		Amlexanox4 / 7
THR B  94
PHE B  97
THR B  98
ARG B 101
1.29A20.45
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.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A  82
LEU A  81
ARG B 101
1.39A20.00
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU B 122
ASN B 123
ALA B 193
ALA B 155
VAL B 165
1.16A15.59
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.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU B 189
TYR B 143
TYR B 140
LEU B 185
1.28A14.50
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.
4PWD_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU B 189
TYR B 143
TYR B 140
LEU B 185
1.21A14.50
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		Riluzole5 / 10
ALA B 115
LEU A  65
VAL B 120
LEU A  61
VAL A  71
1.50A24.77
23.90
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.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
PRO B 121
LEU B 108
ASN B 110
LEU A  60
LEU B  96
1.44A18.75
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		Glucosamine4 / 8
TRP B 159
ARG B 195
SER A  59
ILE B 125
1.63A18.45
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.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU A  76
PHE B  97
THR A  14
LEU A  64
1.50A20.25
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.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid6 / 12
MET B  92
LEU A  61
LEU A  64
LEU A  25
ILE B 112
THR B  89
1.62A17.15
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.
4A99_C_MIYC392_1
(TETX2 PROTEIN)		Minocycline5 / 12
TYR B 140
PRO B 188
VAL B 191
ILE B 190
GLU B 176
1.72A18.27
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.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 9
LEU B 122
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.48A20.30
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		Saquinavir6 / 12
ASP B 168
ILE B 171
ILE B 177
THR B 192
VAL B 135
ILE B 190
1.69A19.55
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.
2V57_A_PRLA1188_0
(TETR FAMILY
TRANSCRIPTIONAL
REPRESSOR LFRR)		Proflavine4 / 8
SER A  62
ILE B 124
TYR B 154
ARG B 195
1.52A19.68
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.
2KQT_C_308C1_1
(M2 PROTEIN)		Amantadine4 / 8
ALA B 107
SER A  59
ALA B 157
SER B 156
1.25A13.11
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.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
ILE B 124
LYS A  32
ALA A  35
VAL A  63
1.61A11.40
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		Saquinavir5 / 9
LEU B 122
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.55A20.30
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		Ticlopidine6 / 11
ILE B 161
PHE B 152
ALA B 193
ILE B 190
VAL B 164
VAL B 137
1.68A15.29
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.
5ZRF_D_EVPD101_1
()		Etoposide4 / 5
GLY B 118
ASP B 117
ARG B 116
MET A  57
1.39A10.55
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 157
LEU B 133
ALA B 193
LYS B 132
ILE B 124
1.32A20.25
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.
3NDU_D_ROCD100_1
(PROTEASE)		Saquinavir6 / 12
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.68A19.40
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.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		Saquinavir6 / 12
ASP B 168
ILE B 171
ILE B 177
THR B 192
VAL B 135
ILE B 190
1.69A19.55
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.
3S54_B_017B201_2
(PROTEASE)		Darunavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
1.03A21.05
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.
4O8F_B_BRLB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
SER A  15
LEU B  96
VAL A  71
MET A  67
LEU A  45
1.57A17.86
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.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		Acetic acid3 / 3
ALA B  91
VAL B  88
GLN A  24
1.19A20.47
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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		Lovastatin5 / 10
LEU A  76
ILE A  73
LEU A  65
LEU A  64
VAL A  21
1.47A21.35
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.
3D90_A_NOGA1001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU B 100
LEU B 108
ASN B 109
ARG B 195
LEU A  65
1.70A18.22
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		Ibuprofen4 / 8
ARG A  26
SER A  20
LEU A  22
VAL A  21
1.19A10.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
ASN B 110
THR B 153
PHE B 152
LEU A  61
ILE B 125
1.57A20.39
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		Suramin4 / 8
LYS A  32
ASN B 123
LYS B 132
TRP B 159
1.76A15.57
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 11
LEU B 100
LEU B 108
ILE B 112
SER B 156
LEU A  64
1.29A23.05
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.
1FBM_B_RTLB951_2
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 4
THR A  14
LEU A  18
VAL A  21
LEU A  25
0.50A19.54
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.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 155
LEU B 127
LYS A  56
ILE B 124
LEU A  40
1.43A19.63
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
VAL B 135
ILE B 177
ILE B 171
ILE B 190
THR B 146
1.56A14.34
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		Metyrapone4 / 6
VAL B 135
ILE B 161
ALA B 193
ALA B 157
1.11A15.88
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.
3M7R_A_VDXA425_2
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 9
LEU B 122
ILE B 161
TRP B 159
TYR B 154
VAL B 165
1.63A20.00
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.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 9
LEU B  96
LEU A  64
VAL A  71
ILE B 112
THR B  89
1.45A24.86
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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Mitoxantrone4 / 4
LEU A  60
LEU A  45
GLN A  36
GLU A  28
1.66A17.44
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		Aminocaproic Acid4 / 7
ASP B 168
ALA B 186
LEU B 189
TRP B 187
1.60A13.18
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU A  76
PHE B  97
THR A  14
LEU A  64
1.48A20.25
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.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 10
LEU A  61
LEU A  64
LEU A  25
ILE B 112
THR B  89
1.59A13.95
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.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE B 111
ALA B 115
ILE A  73
LEU B  96
LEU A  18
1.10A19.88
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.
3THR_D_C2FD1200_0
(GLYCINE
N-METHYLTRANSFERASE)		Levomefolic acid5 / 12
LEU B 185
TYR B 143
LEU B 189
TYR B 140
THR B 142
1.78A18.18
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.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		Liothyronine5 / 12
ILE B 111
ALA B 155
LEU B 108
LEU A  18
ILE A  44
1.63A20.49
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.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.44A19.63
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 155
LEU B 133
LYS A  56
ILE B 124
LEU A  40
1.36A18.50
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.
5XIW_B_LOCB504_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER A  30
ALA A  35
VAL A  38
1.08A12.09
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA B 193
VAL B 137
ASN B 150
LEU B 185
LEU B 189
1.37A15.84
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
ALA B 115
LEU B 108
LEU A  61
LEU A  64
PHE B  97
1.18A18.37
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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		Aminocaproic Acid4 / 8
VAL B 191
ASP B 139
TRP B 187
LEU B 174
1.54A16.26
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.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin6 / 12
LEU B 100
LEU B 108
ILE B 112
ILE B 111
SER B 156
LEU A  64
1.43A18.43
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		Diclofenac4 / 8
LEU A  64
ALA B 115
ILE B 111
CYH A  77
1.08A18.05
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		Darunavir6 / 12
LEU B 122
ASP B 168
ASP B 166
VAL B 164
VAL B 135
ILE B 190
1.74A22.66
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 7
PHE B  97
LEU B 100
LEU B 108
PRO B 121
1.22A21.28
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.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		Benzoic Acid4 / 6
ALA B 193
LEU B 133
GLU B 160
ALA B 130
1.22A20.60
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.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU A  76
PHE B  97
THR A  14
LEU A  64
1.49A20.86
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		Benzoic Acid4 / 7
ALA B 157
SER B 156
VAL A  58
ARG B 195
1.49A22.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
LEU A  45
LEU A  46
LYS A  48
ALA A  47
1.42A11.66
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
TRP B 159
LEU B 127
LEU A  65
ASN B 123
ILE B 111
1.35A14.60
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.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.36A20.25
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.
1LIN_A_TFPA156_1
(CALMODULIN)		Trifluoperazine5 / 8
ILE B 112
LEU B 100
MET A  57
VAL A  58
ILE B 111
1.78A24.05
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.42A20.25
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE B 111
ALA B 115
ILE A  73
LEU B  96
VAL A  21
1.30A19.88
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.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole5 / 8
ILE B 124
GLN A  39
LEU A  40
LEU B 127
ILE B 125
1.28A16.32
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 11
LEU A  40
ILE A  44
LEU A  18
LEU A  65
ILE B 125
1.23A15.79
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 10
ALA B 155
ARG B 195
ALA B 157
VAL A  11
ILE A  44
1.58A18.33
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.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU B  96
LEU A  60
LEU A  64
ILE B 112
LEU B 103
1.51A21.32
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.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		Liothyronine5 / 12
ILE B 125
ALA B 115
LEU A  65
LEU B 108
ILE B 112
1.47A20.53
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.
2EIK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
LEU A  22
MET B  92
THR B  94
LEU B  96
1.38A10.80
12.36
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine4 / 6
ASP B 106
ASP B 117
ARG B 116
ASN B 109
1.40A20.81
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU B 103
LEU A  61
LEU B 108
ILE A  44
LEU A  60
1.29A12.55
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
SER B  90
LEU A  81
MET A  80
1.68A12.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NQA_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
ILE B 125
ALA B 155
LEU B 133
VAL A  63
LEU B 108
1.65A17.53
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.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.41A20.25
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone6 / 12
ASN B 113
ILE B 112
LEU A  65
THR B 142
VAL B 137
VAL B 120
1.55A15.83
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.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		Etodolac4 / 8
LEU B 133
VAL B 191
LEU B 194
ILE B 161
1.43A11.66
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.
5ZRF_F_EVPF1301_1
()		Etoposide4 / 4
GLY B 118
ASP B 117
ARG B 116
MET A  57
1.33A10.55
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 155
LEU B 127
LYS A  56
ILE B 124
LEU A  40
1.54A20.25
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.
3NUV_B_ASDB126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 10
TYR B 154
SER A  66
LEU B 122
VAL B 136
PRO B 138
1.79A24.31
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		Darunavir6 / 12
LEU B 122
ASP B 168
ASP B 166
VAL B 164
VAL B 135
ILE B 190
1.77A19.55
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.
1EPB_A_9CRA165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin5 / 12
ILE B 112
VAL A  58
ALA B 155
ILE B 125
ILE B 124
1.34A23.39
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.
2W8Y_B_NDRB1000_0
(PROGESTERONE
RECEPTOR)		Norethisterone5 / 12
LEU B 100
LEU B 108
ASN B 109
ARG B 195
LEU A  65
1.67A18.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		S-Adenosylmethionine5 / 12
PHE B 152
ALA B 155
ILE B 125
THR B 128
ALA B 193
1.39A19.22
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN B 162
THR B 192
THR B 146
LEU B 174
1.56A17.14
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.
1DB1_A_VDXA428_2
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol4 / 6
ILE B 161
TRP B 159
TYR B 154
VAL B 165
1.40A19.83
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 10
ALA B 115
SER A  59
LEU B 108
ALA B 107
ILE B 112
1.60A17.80
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.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA B 115
LEU A  22
LEU A  18
LEU A  61
LEU A  64
1.47A18.16
25.49
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		Cefoxitin4 / 5
TYR B 143
PRO B 138
THR B 151
THR B 153
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.
1A29_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
LEU B 174
GLU B 160
ALA B 193
VAL B 191
1.23A24.05
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.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
ILE B 125
PRO B 121
LEU A  18
LEU B 127
1.28A23.03
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_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		Tacrine6 / 11
LEU B 100
PHE B  97
VAL A  27
LEU A  60
LEU A  65
LEU A  61
1.64A12.55
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.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A  64
TRP A  34
LEU A  19
MET B  92
1.68A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 5
LEU A  64
LEU A  76
ILE A  73
ALA A  70
0.89A10.54
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.
3BU1_A_HSMA301_1
(LIPOCALIN)		Histamine4 / 7
SER A  62
VAL B 135
TYR B 154
ILE B 111
1.68A21.83
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.
1FBM_B_RTLB951_3
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 5
THR A  14
LEU A  18
VAL A  21
LEU A  25
0.61A19.54
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.
2J9C_A_ACTA1121_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		Acetic acid4 / 5
SER A  66
VAL B 120
SER A  62
VAL A  63
1.62A21.19
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.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
LEU B 122
ASP B 168
ASP B 166
VAL B 164
VAL B 135
ILE B 190
1.71A20.30
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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.28A15.94
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.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
TRP B 159
ASN B 123
GLN A  36
LEU B 127
THR B 128
1.56A21.57
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.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 11
VAL B 135
ILE B 177
ILE B 171
ILE B 190
THR B 146
1.56A14.34
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.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 11
LEU B 108
ILE A  44
PHE A  54
ALA A  53
THR A  50
1.51A14.61
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.
3AQI_B_CHDB5_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO B 121
LEU B 133
ARG B 195
1.21A17.15
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.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		Ursodeoxycholic acid5 / 10
ARG B 116
ILE B 112
ALA B 115
LEU A  61
LEU A  65
1.47A18.89
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.
5L5F_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		Bortezomib5 / 9
THR A  14
SER A   9
SER A   6
ALA A  53
ASP A  49
1.63A16.59
16.14
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.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A  61
LEU A  64
LEU A  25
ILE B 112
THR B  89
1.43A13.95
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.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.42A19.63
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.40A20.25
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		Tiopronin4 / 8
VAL B 137
TRP B 187
ASP B 139
ASN B 145
1.65A19.52
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.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 8
ILE B 112
LEU A  18
VAL A  21
LEU A  64
1.06A17.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
TYR B 154
PHE B  97
LEU B 100
ALA B 115
SER A  66
1.62A18.75
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.
3G8I_A_RO7A1_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		Aleglitazar5 / 7
LEU B 133
GLN A  36
LEU A  18
VAL A  58
LEU A  65
1.67A19.77
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.
2OAX_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
ASN B 110
LEU B 108
ALA B 107
LEU B 133
THR B 146
1.14A18.67
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA B 193
LEU B 174
ILE B 177
VAL B 137
TYR B 140
1.36A20.73
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine5 / 12
LEU B 133
VAL B 135
TRP B 159
ASN B 105
ASN B 110
1.71A19.09
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.
5E5J_A_017A201_1
(PROTEASE)		Darunavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
0.97A21.05
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
THR B 146
ASN B 145
GLY B 141
ILE B 177
1.33A16.35
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU B 108
LEU A  60
SER A  59
LEU B 127
1.71A18.33
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.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
VAL A  71
LEU A  76
LEU A  65
LEU A  22
LEU A  25
1.43A9.03
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.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE B  97
ILE B 112
ASP B 104
0.80A19.93
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 10
LEU B 108
ALA B 155
ILE B 111
LEU A  22
MET A  67
1.63A16.80
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.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole4 / 8
GLN A  39
LEU A  40
LEU B 127
ILE B 125
1.15A15.58
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.
3A50_D_VD3D2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
LEU B 108
LEU A  60
ILE A  44
ALA A  47
LEU B 127
1.41A18.75
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 11
ILE B 190
ALA B 193
ASN B 123
SER A  62
LEU B 122
1.66A11.78
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.
5VYH_A_FOLA409_0
(S PROTEIN)		Folic Acid5 / 10
PRO B 126
ARG B 195
ALA B 157
THR B 146
ALA B 155
1.59A18.48
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.
2XFS_A_J01A500_1
(ORF12)		Clavulanate4 / 8
VAL B 191
LEU A  65
GLY B 118
ALA B 115
1.38A14.81
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.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU B  96
LEU A  18
LEU A  19
LEU A  40
LEU B 108
1.32A18.22
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.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
GLY B 149
SER B 182
LEU B 185
LEU B 189
VAL B 172
1.30A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
GLU A  79
ARG B 101
ASP A  72
ILE A  73
ASN A  74
1.72A6.96
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU B 122
ASN B 123
ALA B 193
ALA B 155
VAL B 165
1.13A15.59
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.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE B 111
ALA B 115
ILE A  73
LEU B  96
LEU A  18
1.10A19.88
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
TRP B 159
LEU B 127
LEU A  65
ASN B 123
ILE B 111
1.42A14.60
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.
2A5H_B_SAMB417_0
(L-LYSINE
2,3-AMINOMUTASE)		S-Adenosylmethionine5 / 12
SER A  62
GLN A  36
VAL A  38
ASP A  43
LEU A  45
1.61A11.78
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.
6DH6_A_017A104_1
(PROTEASE)		Darunavir5 / 12
ALA B 107
VAL A  58
ILE B 111
LEU A  61
PRO B 126
1.26A22.66
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.
4G1B_C_ECNC403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 9
THR B  94
PHE B  97
GLN B  93
VAL A  17
LEU B 100
1.60A16.34
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
TYR B 154
TRP B 159
LEU B 108
ILE A  73
VAL A  71
1.26A20.90
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.
3TKW_B_017B401_1
(PROTEASE)		Darunavir6 / 12
LEU B 122
ASP B 168
ASP B 166
VAL B 164
VAL B 135
ILE B 190
1.75A19.23
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.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE B 152
THR B 142
ILE B 112
VAL A  58
PRO B 121
1.45A19.22
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.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 107
ALA B 155
LEU B 127
ILE B 124
LEU A  40
1.49A19.63
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  82
ASN A  83
THR B  98
0.79A19.80
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.
5MZP_A_CFFA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Caffeine5 / 9
ILE B 112
VAL A  71
PHE B  97
LEU A  18
MET A  57
1.65A14.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.36A15.33
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		Benzoic Acid4 / 8
ASN B 105
ASP B 104
PHE A  54
VAL A  11
1.21A15.83
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.
3R9V_B_DXCB323_0
(INVASIN IPAD)		Deoxycholic Acid5 / 7
LEU B  96
ILE B 112
ILE B 111
VAL A  58
LEU B 108
1.58A20.07
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 11
ALA B 115
GLY B 118
ALA B 155
TYR B 154
LEU A  64
1.55A14.29
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		Lasofoxifene5 / 12
LEU B  96
THR A  14
LEU A  60
LEU A  64
ILE B 112
1.40A21.57
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.70A21.09
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.
3E22_B_LOCB700_1
(TUBULIN ALPHA-1C
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER A  31
ALA A  35
VAL A  38
0.88A11.19
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.
2DYS_J_CHDJ101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU A  22
MET B  92
THR B  94
LEU B  96
1.40A10.80
12.36
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.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE B 111
ALA B 115
ILE A  73
LEU B  96
LEU A  18
1.11A19.88
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU B 122
PRO B 188
VAL B 136
ILE B 190
1.33A19.55
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.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Tadalafil5 / 12
ALA B 115
ILE B 111
ILE A  73
VAL A  71
LEU A  22
1.44A16.05
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.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib5 / 12
GLN B  93
LEU A  64
PHE B  97
ILE A  73
ALA B 115
1.39A14.65
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Digoxin5 / 12
ALA B 115
ALA B 155
VAL A  58
LEU A  22
LEU A  33
1.57A17.62
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.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 6
LEU A  22
MET B  92
THR B  94
LEU B  96
1.38A10.80
12.36
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.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		Diflunisal5 / 10
TYR B 154
LEU B 100
LEU A  61
LEU A  65
ILE A  73
1.49A11.40
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
ALA B 115
GLY B 118
ALA B 155
TYR B 154
LEU A  64
1.55A14.29
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
ALA B 193
PHE B 152
ALA B 131
LEU B 127
VAL A  58
1.64A20.56
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A  65
LEU A  61
LEU A  19
MET B  92
1.04A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
LYS A   7
LEU B 100
THR A  14
LEU B 108
ASP B 104
1.40A14.20
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.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.72A21.88
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 12
LEU A  64
LEU A  22
LEU B  96
ILE B 112
ILE B 124
1.40A20.33
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		Theophylline4 / 5
SER B 182
TYR B 140
VAL B 137
ASP B 139
1.43A19.78
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.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib4 / 6
LEU A  25
VAL A  21
ILE B 111
ILE B 125
1.26A15.58
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.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 5
VAL B 135
LEU B 133
ILE B 125
ASN B 110
1.29A29.17
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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.26A15.94
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.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU B 189
TYR B 143
TYR B 140
LEU B 185
1.19A14.50
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 11
ILE A  73
MET B  95
PHE B  97
ASN B 109
ILE B 112
1.67A21.26
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
GLY B 118
ILE A  73
ASN B 109
ASN B 105
LEU A  65
1.44A22.09
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		Vitamin C4 / 8
ALA B 155
ILE B 111
ASN B 110
PRO B 121
1.33A20.64
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU B  96
LEU A  60
LEU A  64
ILE B 112
LEU B 103
1.38A22.18
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.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline5 / 12
LEU A  65
PHE B  97
ALA A  70
LEU A  25
THR B  94
1.53A11.36
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.
4Y0R_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine5 / 12
LEU A  18
LEU B  96
ILE B 112
ILE A  73
VAL A  71
0.92A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 115
ILE B 112
LEU A  18
VAL A  21
LEU A  22
1.14A19.50
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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Acetic acid4 / 6
LEU A  76
GLN B  93
LEU A  18
LEU A  64
1.50A16.16
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.
1EPB_B_9CRB165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin5 / 12
ILE B 112
VAL A  58
ALA B 155
ILE B 125
ILE B 124
1.23A23.39
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.
5LJD_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 9
LEU B 108
LEU B  96
ILE B 111
GLN A  36
LEU A  40
1.72A19.05
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.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		Hydroquinone5 / 10
VAL B 164
LEU B 189
VAL B 191
THR B 146
VAL B 137
1.40A21.57
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.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 7
TYR B 140
ILE B 161
LEU B 185
LEU B 189
1.55A20.07
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  96
ILE A  73
ASP A  72
LEU A  64
LEU A  61
1.31A19.05
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.
3WDM_A_ADNA901_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 9
GLY B 118
LEU A  65
ASN A  74
ASN B 114
ILE B 111
1.50A22.95
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU B  96
LEU A  60
LEU A  64
ILE B 112
LEU B 103
1.46A20.60
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.
4QGI_A_ROCA101_2
(PROTEASE)		Saquinavir6 / 11
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.55A21.09
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP B 106
ASP B 117
THR B 142
SER B 156
TYR B 154
1.75A20.09
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ALA A  70
GLY A  69
ILE A  73
MET A  67
ASN A  74
1.60A16.10
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.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A  18
SER A  20
LEU A  25
LEU A  60
1.41A15.45
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ILE B 161
LEU B 174
ASP B 148
GLU B 160
1.50A15.83
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		Saquinavir4 / 4
LEU A  61
ASP B 104
VAL A  11
THR A  14
1.68A19.61
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.
5T8H_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
0.94A21.05
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.
3W68_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
VAL A  38
LEU A  33
ILE A  44
VAL A  63
LEU A  64
VAL A  71
1.49A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir5 / 9
LEU B 122
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.46A19.55
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
LEU B  96
LEU A  64
VAL A  71
ILE B 112
THR B  89
1.48A24.86
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.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ILE A  73
ASP B 117
ARG B 101
1.38A20.00
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Alprazolam4 / 7
PRO B 121
LEU A  61
LEU B 108
ILE B 125
1.41A22.79
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.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 12
PHE B  97
GLN B  93
VAL A  21
PRO B 121
ILE B 124
1.64A24.07
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.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		Acetic acid4 / 6
ILE B 124
VAL A  27
VAL A  63
SER A  30
1.43A15.65
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.
4MGH_A_ACTA1320_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		Acetic acid4 / 5
VAL B 172
LEU B 185
ILE B 177
LEU B 174
1.17A7.06
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		Nicotine4 / 8
LEU B 189
GLU B 176
TRP B 187
ASN B 181
1.35A15.68
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.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Glyburide5 / 12
TYR B 143
LEU B 189
VAL B 165
ILE B 171
ASN B 181
1.76A20.34
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.
2XH9_A_J01A1436_1
(ORF12)		Clavulanate4 / 8
VAL B 191
LEU A  65
GLY B 118
ALA B 115
1.38A14.81
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER B 156
ASN B 114
ASN B 110
ALA B 157
ARG B 195
1.62A20.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A  65
ALA B 115
ASN B 113
ALA B 155
ILE B 125
1.26A11.32
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.
3AQI_A_CHDA1_0
(FERROCHELATASE)		Cholic Acid5 / 11
LEU B 108
ILE A  44
PRO B 121
VAL B 135
VAL A  63
1.79A17.15
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.
6A5Y_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE B 111
ALA B 107
ALA B 155
LEU B 108
ILE B 124
LEU B 133
1.62A17.80
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.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.40A19.63
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.
3EM3_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
LEU B 122
VAL B 165
PRO B 188
VAL B 136
ILE B 190
1.51A21.88
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.
5HNZ_B_TA1B902_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
LEU A  18
LEU B 100
ARG A  75
0.85A11.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D90_A_NOGA1001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU A  25
LEU A  22
LEU A  19
MET A  57
LEU A  65
1.64A18.37
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		Acetic acid4 / 5
ALA A  53
ALA A  47
ILE A  44
LEU A  40
1.26A18.10
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		Glyburide3 / 3
LEU B 133
THR B 142
ASN B 145
0.98A5.99
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		Saquinavir6 / 12
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.66A19.55
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.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 12
LEU A  64
LEU A  22
LEU B  96
ILE B 112
ILE B 124
1.37A20.33
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.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		Etoposide4 / 5
GLY B 118
ASP B 117
ARG B 116
MET A  57
1.34A10.55
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.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin4 / 7
VAL A  16
MET A  57
ILE A  44
ASP A  43
1.54A15.34
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER A  31
ALA A  35
VAL A  38
0.88A12.09
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.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		Lopinavir4 / 6
ASN B 110
ASP B 117
GLY B 141
THR B 153
1.45A21.88
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.
4OKB_A_198A1002_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU A  25
LEU A  61
VAL A  17
MET B  92
ILE B 124
1.73A16.40
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.
2BYO_A_LNLA1216_1
(LIPOPROTEIN LPPX)		Alpha-Linolenic Acid4 / 5
LEU B 185
ILE B 177
LEU B 174
SER B 175
1.10A22.45
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.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU A  22
MET B  92
THR B  94
LEU B  96
1.38A10.80
12.36
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE B 111
ALA B 107
ALA B 155
LEU B 108
ILE B 124
LEU B 133
1.71A17.80
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 157
LEU B 133
ALA B 193
LYS B 132
ILE B 124
1.48A20.25
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.
2DYR_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU A  22
MET B  92
THR B  94
LEU B  96
1.37A10.80
12.36
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.
1YA3_C_STRC3001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
ASN B 110
LEU B 108
ALA B 107
LEU B 133
THR B 146
1.09A18.33
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole5 / 8
MET B  95
LEU B 108
ILE B 112
THR A  14
LEU B 103
1.68A14.60
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.
3HS6_B_EPAB1_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent4 / 7
VAL A  58
LEU A  65
SER A  66
VAL B 120
1.09A8.26
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DZK_2_BEZ2801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		Benzoic Acid4 / 4
LEU B 100
ARG B 116
ILE B 112
ILE A  73
1.75A33.33
21.18
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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		Indinavir3 / 3
ASP B 106
VAL A  58
PRO B 126
1.24A21.01
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.
1HK2_A_T44A3002_1
(SERUM ALBUMIN)		Levothyroxine4 / 8
GLN A  23
LEU A  19
LEU A  33
SER A  29
1.34A10.54
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.
3WRK_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE B  97
LEU A  25
GLY A  69
ILE A  73
1.25A15.51
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib5 / 6
VAL A  27
SER A  66
LEU B 100
ILE B 111
LEU A  25
1.77A11.40
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.
5T8H_B_478B401_1
(PROTEASE)		Amprenavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
1.03A21.05
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.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		Chloramphenicol6 / 12
SER A  66
VAL A  71
ILE A  73
ILE B 112
PHE B  97
LEU A  18
1.79A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  73
ALA A  70
LEU A  64
THR B  94
LEU B 100
1.53A17.90
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Salicylic acid4 / 7
VAL B 135
LEU B 158
ALA B 193
LEU B 133
1.22A11.37
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.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
VAL B 135
LEU A  18
MET A  57
0.93A12.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 8
VAL B 136
VAL B 137
CYH B 147
ILE B 190
ASP B 166
1.02A17.42
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.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
LEU B 100
VAL A  58
LEU A  61
LEU A  65
LEU B 108
1.42A16.97
18.75
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_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  96
ILE A  73
ASP A  72
LEU A  64
LEU A  61
1.37A19.05
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.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone6 / 12
LEU A  61
ILE B 112
ILE A  73
LEU A  65
THR B  94
VAL A  71
1.52A12.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)		Paclitaxel4 / 6
LEU B 100
LEU A  64
THR B  94
ARG B  85
1.40A15.94
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.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU A  22
MET B  92
THR B  94
LEU B  96
1.39A10.80
12.36
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 10
VAL A  27
LEU B 108
ILE B 111
VAL A  21
ILE B 125
1.12A15.74
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
TRP B 159
LEU B 127
LEU A  65
ASN B 123
ILE B 111
1.34A14.60
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		Saquinavir3 / 3
ASP B 168
ASP B 166
ASN B 184
1.24A20.59
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.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin6 / 12
LEU A  61
LEU A  65
ILE B 112
ILE A  73
PHE B  97
LEU B 100
1.67A15.18
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.
2QEU_A_ACTA141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		Acetic acid3 / 3
VAL B 172
ASP B 166
GLU B 176
1.45A24.00
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.
1FBM_B_RTLB951_3
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 5
THR B  94
LEU B  96
VAL A  21
LEU A  22
1.43A17.05
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.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU B 103
LEU B 100
MET B  99
LEU A  22
VAL A  21
1.54A17.15
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.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole4 / 8
ILE B 112
ILE B 111
LEU A  65
LEU B 100
1.02A16.32
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.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU A  40
LEU B 108
SER A  15
LEU A  18
SER A  62
1.53A12.67
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.
1AJ6_A_NOVA1_1
(GYRASE)		Novobiocin5 / 9
ASN B 105
ASP B 104
ILE B 112
ALA B 115
ILE B 111
1.64A22.17
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.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		Tacrolimus5 / 12
LEU A  65
LEU A  60
LEU A  22
ILE B 112
ILE A  73
1.43A23.89
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.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.45A19.63
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.
5EYP_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.23A15.94
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.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		Benzoic Acid4 / 4
LEU A  22
SER A  66
LEU A  60
LEU A  18
1.54A9.86
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.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet5 / 12
LEU A  76
SER B  90
ILE A  73
ALA B 115
VAL A  27
1.55A16.75
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.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA B 155
ALA B 157
VAL A  11
ILE A  44
LEU A  61
1.41A18.33
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.
2C12_C_SPMC1434_1
(NITROALKANE OXIDASE)		Spermine5 / 12
LEU B 108
ALA B 115
SER A  62
LEU A  61
VAL A  63
1.58A15.72
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		Captopril4 / 8
VAL B 137
TRP B 187
ASP B 139
ASN B 145
1.65A17.95
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.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Benzatropine4 / 6
VAL A  21
LEU A  18
LEU B 100
LEU A  65
1.15A18.58
20.77
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.
2YGN_A_PCFA1179_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE B 112
LEU B 108
ILE B 111
PHE B  97
VAL A  21
1.45A22.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
ILE B 124
SER A  62
LEU A  60
SER A  59
LEU A  40
1.32A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3003_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 6
ILE B 125
VAL A  58
LEU A  61
LEU A  65
1.15A18.63
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.
3VHU_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU B 103
LEU B 108
LEU A  18
SER A  15
1.39A20.64
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		Amsacrine4 / 7
ILE B 125
PRO B 126
ALA B 157
GLN B 163
1.19A10.55
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.
2QD3_A_CHDA501_0
(FERROCHELATASE)		Cholic Acid6 / 11
MET B  92
LEU A  61
LEU A  64
LEU A  25
ILE B 112
THR B  89
1.62A17.15
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.
4Q0B_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU B 189
TYR B 143
TYR B 140
LEU B 185
1.22A14.50
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.
6A5Z_L_9CRL501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE B 111
ALA B 107
ALA B 155
LEU B 108
ILE B 124
LEU B 133
1.73A17.80
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.
5UHC_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
GLN A  36
LEU A  40
SER A  59
ASN B 123
ILE B 125
1.79A5.53
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.
3S54_B_017B201_1
(PROTEASE)		Darunavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
1.07A21.05
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.
5GWK_D_EVPD102_1
(DNA TOPOISOMERASE
2-ALPHA)		Etoposide4 / 4
GLY B 118
ASP B 117
ARG B 116
MET A  57
1.31A11.11
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline5 / 8
ALA B 155
ALA B 107
ILE B 111
ALA A  53
LEU A  61
1.46A18.66
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.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ASN B 105
ARG B 101
ILE B 112
ALA B 107
ARG B 116
1.77A15.83
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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  22
LEU A  19
LEU A  40
MET A  67
LEU A  61
1.70A15.73
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.
6F6N_A_SREA508_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Sertraline5 / 10
VAL A  21
LEU A  18
LEU B 100
LEU A  65
LEU A  64
1.33A18.58
20.77
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.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil6 / 12
LEU A  18
LEU A  61
ILE B 112
VAL A  71
ALA A  70
PHE B  97
1.77A15.95
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		Ergocalciferol5 / 12
LEU B 122
ASN B 123
ALA B 193
ALA B 155
VAL B 165
1.23A15.59
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER B 156
ASN B 114
ASN B 110
ALA B 157
ARG B 195
1.61A20.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XF3_A_J01A500_1
(ORF12)		Clavulanate5 / 10
VAL B 191
ILE B 190
LEU A  65
GLY B 118
ALA B 115
1.53A14.81
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ALA B 115
GLY B 118
ILE A  73
ASN A  74
ASN B 113
1.50A20.16
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU A  40
ARG B 195
PRO B 121
SER A  66
1.57A13.95
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.
3TKG_C_ROCC901_1
(PROTEASE)		Saquinavir6 / 12
ASP B 168
ILE B 171
ILE B 177
THR B 192
VAL B 135
ILE B 190
1.69A19.23
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Chloramphenicol5 / 11
LEU B 127
LEU B 103
LEU A  61
ILE B 111
LEU B 100
1.16A16.20
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib5 / 12
ALA B 131
GLU A  55
ILE B 125
LEU B 108
ALA B 155
1.57A17.44
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.
3CLB_A_TMQA611_1
(DHFR-TS)		Trimetrexate5 / 11
VAL B 135
ILE B 177
ILE B 171
ILE B 190
THR B 146
1.48A14.34
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.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
TRP B 159
LEU B 127
LEU A  65
ASN B 123
ILE B 111
1.43A14.60
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		Nilotinib4 / 7
LYS B 102
VAL A  16
LEU B 103
MET B  92
1.15A20.00
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.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		Proflavine4 / 7
VAL A  21
GLN A  24
LEU A  25
GLU A  28
1.33A15.38
13.61
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.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		Riboflavin5 / 9
LEU A  40
VAL A  16
LEU B  96
ILE A  44
PHE B  97
1.64A20.59
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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ALA B 155
ILE B 125
SER A  66
LEU A  64
ILE B 112
1.42A19.50
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  96
ILE A  73
ASP A  72
LEU A  64
LEU A  61
1.36A19.05
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.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir4 / 7
LEU B 108
ALA B 155
VAL B 135
ILE B 111
1.21A25.36
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 12
PHE B 152
VAL B 135
ILE B 190
ILE B 171
TYR B 140
1.61A19.59
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.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A  60
LEU A  64
ILE B 112
LEU A  65
LEU B 103
1.42A17.27
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER B 156
ASN B 114
ASN B 110
ALA B 157
ARG B 195
1.58A19.44
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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
ALA B 107
ASP B 106
LEU B 127
ARG B 195
ILE A  44
1.53A21.57
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.33A15.94
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole5 / 10
ALA B 107
LEU A  65
LEU B 100
ILE B 112
VAL A  71
1.25A15.00
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
ALA B 115
GLY B 118
ALA B 155
TYR B 154
LEU A  64
1.54A14.29
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		Benzoic Acid5 / 12
ILE A  73
LEU A  64
LEU A  18
VAL A  21
GLN B  93
1.54A12.39
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		Lasofoxifene4 / 6
ALA B  86
ASP B  83
GLU B  82
ARG A  26
1.42A21.57
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU B 108
LEU A  65
ILE B 124
MET A  57
1.55A16.95
22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		Tacrolimus5 / 11
PRO B 121
LEU A  22
LEU B  96
ILE B 111
PHE B  97
1.54A20.83
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.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		Carbocisteine3 / 3
GLU B 176
LYS B 170
VAL B 172
1.49A21.62
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU B 108
LEU A  65
ILE B 124
MET A  57
1.56A13.85
22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ASN B 105
ASP B 104
ILE B 112
ALA B 115
ILE B 111
1.69A19.83
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.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A  25
LEU A  64
SER A  15
LEU A  18
LEU A  22
1.13A12.94
22.54
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		Dopamine4 / 6
PHE B 152
ALA B 193
PRO B 121
LEU B 133
1.40A16.11
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		Caffeine4 / 7
VAL B 135
PHE B 152
ASN B 110
ILE B 125
1.47A18.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z2B_C_VLBC800_2
(TUBULIN ALPHA CHAIN)		Vinblastine4 / 5
PRO B 188
VAL B 137
VAL B 164
ILE B 190
1.65A15.49
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		Vitamin A6 / 12
LEU B 122
LEU B 133
ALA B 157
ALA B 107
ALA B 155
VAL B 135
1.75A23.68
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide5 / 11
SER A  66
LEU B  96
LEU B 100
SER A  62
LEU A  61
1.34A12.94
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.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ASN B 105
ASP B 104
ILE B 112
ASP B 117
ILE B 111
1.65A19.83
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.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
ASN B 110
LEU B 108
ALA B 107
LEU B 133
THR B 146
1.11A21.19
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.
5IEP_A_VDYA201_2
(CDL2.3B)		Calcidiol5 / 9
ILE B 125
PRO B 121
VAL A  27
LEU A  33
LEU B 127
1.57A22.45
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.
2A58_B_RBFB301_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		Riboflavin5 / 12
ILE B 112
LEU B 108
ALA B 115
SER A  59
LEU B 127
1.51A25.48
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.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		Paroxetine3 / 3
LEU B  96
MET B  99
ASP B 104
1.31A11.00
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
TYR B 154
PHE B  97
LEU B 100
ALA B 115
SER A  66
1.68A18.75
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.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		Salicylic acid4 / 7
ILE B 125
ALA B 107
ASN B 110
ILE B 111
0.94A22.73
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib6 / 12
LEU A  22
LEU B 100
LEU A  61
LEU A  60
THR B  89
LEU B  96
1.78A15.54
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.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU B  96
VAL A  27
TRP A  34
LEU A  61
MET A  57
1.63A19.30
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.
2JJ8_B_AZZB1211_1
(DEOXYNUCLEOSIDE
KINASE)		Zidovudine5 / 12
LEU B 100
PHE B  97
GLN B  93
VAL A  71
MET A  67
1.68A20.81
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		Metyrapone5 / 6
VAL A  11
LEU A  60
ILE A  44
ALA A  53
ALA B 107
1.49A11.01
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
LEU B 100
LEU B 103
ILE B 112
ARG B 101
1.77A15.50
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		Meclofenamic acid4 / 8
LEU B 108
LEU B 103
VAL A  17
SER A  15
1.33A13.66
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.
5NM5_B_LOCB502_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.34A15.94
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.
3NDT_D_ROCD100_2
(PROTEASE)		Saquinavir6 / 12
LEU B 122
ASP B 168
ASP B 166
VAL B 164
VAL B 135
ILE B 190
1.69A19.40
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.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		Acetylcysteine3 / 3
VAL A  63
GLN A  39
CYH A  37
1.22A19.00
21.88
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		Pilocarpine4 / 5
PHE B 152
ALA B 193
THR B 192
LEU B 174
1.61A14.05
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 157
LEU B 133
LYS B 132
SER A  62
ILE B 124
1.65A19.63
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.
6ECX_A_SAMA1301_1
(STIE PROTEIN)		S-Adenosylmethionine4 / 5
THR B  98
THR B  89
GLN B  93
ASP B  83
1.39A18.87
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.
6GBN_B_ADNB501_2
(-)		Adenosine4 / 5
GLN B 162
THR B 192
THR B 146
LEU B 174
1.59A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		Tetracaine5 / 12
LEU B  96
ILE B 112
ILE A  73
VAL A  71
LEU A  22
1.26A22.49
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.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
1.03A22.66
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.
5KR2_A_ROCA101_2
(PROTEASE PR5-SQV)		Saquinavir5 / 11
LEU B 122
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.42A20.30
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib5 / 6
VAL A  27
SER A  66
LEU B 100
ILE B 111
LEU A  25
1.73A11.40
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.71A21.09
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ASN B 145
GLY B 118
ASP B 139
ILE B 112
ASN B 110
1.42A20.16
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR B 142
ALA B 155
ASN B 110
LEU B 133
0.98A24.71
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.
3TL9_A_ROCA401_3
(PROTEASE)		Saquinavir6 / 12
LEU B 122
VAL B 164
ILE B 171
PRO B 188
VAL B 136
ILE B 190
1.76A19.23
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 4
ILE B 111
LEU B  96
VAL A  71
ILE A  73
1.43A19.62
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A  72
LEU A  22
LEU A  18
THR A  14
ARG B 116
1.63A11.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
ASN B 110
LEU B 108
ALA B 107
LEU B 133
THR B 146
1.09A18.67
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.
2A5H_A_SAMA417_0
(L-LYSINE
2,3-AMINOMUTASE)		S-Adenosylmethionine5 / 11
SER A  62
GLN A  36
VAL A  38
ASP A  43
LEU A  45
1.62A11.78
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.
2J5M_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 6
LEU A  65
PHE B  97
ILE A  73
ALA B 115
1.13A13.18
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.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.41A19.63
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.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  96
ILE A  73
ASP A  72
LEU A  64
LEU A  61
1.38A19.05
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.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU B  96
PHE B  97
LEU A  76
ILE A  73
1.40A19.63
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.
2PNJ_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU B 108
ILE A  44
PRO B 121
VAL B 135
VAL A  63
1.69A17.15
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.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 6
VAL B 135
LEU B 133
ILE B 125
ASN B 110
1.23A29.17
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		Adenosine4 / 5
LEU B 189
VAL B 172
GLU B 176
LEU B 185
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		Diclofenac5 / 11
LEU A  40
LEU B 108
SER A  15
LEU A  18
SER A  62
1.50A12.67
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 12
LEU B  96
LEU A  18
LEU A  19
LEU A  40
LEU B 108
1.24A18.53
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR B 154
ASN B 109
LEU A  61
VAL A  58
LEU B 133
1.71A16.75
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.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		Levothyroxine4 / 7
LEU A  65
THR A  14
SER A  59
VAL A  11
1.34A24.79
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.
6HCX_A_ZMRA519_1
(NEURAMINIDASE)		Zanamivir3 / 3
TRP B 159
ILE B 125
GLU A  55
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.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU A  22
SER A  62
LEU A  61
LEU A  33
LEU A  60
1.62A10.63
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.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE B 112
GLN B  93
ARG B 116
LEU A  25
LEU A  64
1.77A18.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 9
LEU A  22
LEU B 108
SER A  15
THR A  14
LEU A  18
1.66A13.81
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin3 / 3
LYS B 132
THR B 192
ILE B 171
1.01A20.98
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE B 111
ALA B 107
ALA B 155
LEU B 108
ILE B 124
LEU B 133
1.69A17.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S43_A_478A401_2
(PROTEASE)		Amprenavir5 / 10
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
1.05A21.05
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.
2RKG_B_AB1B501_2
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
1.03A22.66
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.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A  61
LEU A  22
VAL A  58
PRO B 121
ILE B 111
MET B 134
1.69A14.39
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.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ASN B 105
ASP B 104
ILE B 112
ASP B 117
ILE B 111
1.69A19.83
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.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU A  22
SER A  62
LEU A  61
LEU A  33
LEU A  60
1.62A10.63
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
LEU B  96
LEU B 103
LEU A  61
ARG B 101
1.34A18.21
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.
5XDH_B_DAHB60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 5
MET B 134
ASN B 114
VAL B 120
LEU B 122
1.63A21.21
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.
4XI3_B_29SB601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
ALA B 107
ASP B 106
LEU B 127
ARG B 195
ILE A  44
1.42A20.49
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
GLU A  55
VAL A  58
ILE B 125
LEU B 133
THR B 128
1.37A17.72
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.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		Liothyronine5 / 12
ILE B 125
ALA B 115
LEU A  65
LEU B 108
ILE B 112
1.47A20.53
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.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 157
LEU B 133
LYS B 132
SER A  62
ILE B 124
1.76A21.26
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		Idelalisib5 / 12
ILE B 161
TYR B 143
VAL B 137
ASP B 166
ILE B 177
1.40A9.16
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
ILE B 112
LEU A  65
PHE B 152
ALA B 155
LEU B 108
1.39A11.33
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER B 156
ASN B 114
ASN B 110
ALA B 157
ARG B 195
1.58A19.44
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 6
THR A  51
GLU A  52
MET A   8
ILE A  44
1.62A17.02
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.
3FI0_P_TRPP1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 7
GLN A  36
VAL A  63
ILE A  44
GLN A  39
1.48A13.35
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.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		Acetic acid3 / 3
ALA A  70
VAL A  71
GLN B  93
0.95A20.73
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.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
VAL A  71
LEU A  76
LEU A  65
LEU A  22
LEU A  25
1.41A9.03
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.28A15.94
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE B 112
ASN B 114
PRO B 121
LEU A  65
1.42A21.12
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 112
LEU A  76
PHE B  97
THR A  14
LEU A  64
1.45A20.25
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone4 / 6
ARG B 195
ALA B 157
LEU B 158
ALA B 196
1.72A10.48
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.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim6 / 12
ILE B 111
ALA B 115
ILE A  73
LEU B  96
VAL A  21
LEU A  18
1.48A19.77
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.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU B 189
TYR B 143
TYR B 140
LEU B 185
1.27A14.50
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.
4OQR_A_2UOA502_1
(CYP105AS1)		Mevastatin5 / 9
PRO B 126
ILE B 111
THR B 146
VAL B 191
ALA B 193
1.33A15.33
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA B 155
LEU B 133
LYS A  56
ILE B 124
LEU A  40
1.34A18.50
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.
3MBG_A_ACTA207_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		Acetic acid4 / 7
GLU B  82
ARG B  85
THR B  89
ALA B  86
1.69A18.56
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE B  97
LEU A  25
GLY A  69
ILE A  73
1.22A15.97
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib5 / 12
LEU A  22
VAL A  21
LEU A  76
VAL A  71
LEU A  61
1.37A15.41
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		Phenylacetic acid4 / 8
PHE B 152
ALA B 155
ILE B 125
ASN B 110
1.20A25.41
12.50
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		Erlotinib3 / 3
SER A  62
SER A  59
ALA B 131
0.82A14.02
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 155
LEU B 127
LYS A  56
ILE B 124
LEU A  40
1.47A20.25
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.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ALA B 193
ILE B 111
LEU A  65
ILE B 125
THR B 192
1.60A21.02
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.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
VAL A  17
LEU A  22
PHE B  97
LEU A  65
ILE A  73
1.29A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  82
ASN A  83
THR B  98
0.92A17.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		Saquinavir6 / 12
ASP B 168
ILE B 171
ILE B 177
THR B 192
VAL B 135
ILE B 190
1.66A20.30
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
GLY B 149
ILE B 161
ILE B 177
ASP B 148
1.33A20.09
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.
6ECT_A_SAMA1300_1
(STIE PROTEIN)		S-Adenosylmethionine4 / 5
THR B  98
THR B  89
GLN B  93
ASP B  83
1.50A18.94
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.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine6 / 12
ILE B 111
ILE B 112
ALA B 115
LEU A  61
LEU A  18
LEU B  96
1.35A20.82
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		Atazanavir5 / 11
ILE B 125
GLY B 118
GLY B 141
PHE B 152
VAL B 135
1.38A21.09
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
ALA B 115
LEU B 108
LEU A  61
LEU A  64
PHE B  97
1.19A18.37
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.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 12
LEU B 108
LEU B 103
ILE A  44
ALA A  53
THR A  50
1.48A14.61
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.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 9
LEU B 189
LEU A  65
ILE B 111
TYR B 143
ILE B 125
1.70A18.10
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A  60
LEU B 127
ALA B 155
ILE B 125
ILE B 111
1.47A11.32
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 157
LEU B 133
LYS B 132
ILE B 124
ASN B 123
1.57A19.76
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.
4YVP_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Glyburide5 / 11
TYR B 154
LEU A  65
ILE A  73
LEU B 108
LEU B 100
1.78A20.34
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.
3CLB_D_TMQD614_1
(DHFR-TS)		Trimetrexate5 / 10
VAL B 135
ILE B 177
ILE B 171
ILE B 190
THR B 146
1.58A14.34
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		Dexpanthenol4 / 7
VAL B 135
LEU B 122
TYR B 154
ILE B 111
1.42A17.53
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 9
LEU B 127
CYH A  37
LEU A  18
LEU A  61
LEU A  65
1.61A18.73
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.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone3 / 3
LEU B  96
LEU A  19
MET A  57
1.24A18.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		Chlorthalidone5 / 12
ASN B 110
ASN B 114
VAL B 135
VAL B 191
THR B 153
1.49A21.57
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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR B 154
ASN B 109
LEU A  61
VAL A  58
LEU B 133
1.67A16.75
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B  96
LEU A  60
LEU A  64
ILE B 112
LEU B 103
1.44A22.36
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.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone3 / 3
LEU A  25
LEU A  19
MET B  92
1.10A17.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW1_B_CVIB301_0
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet5 / 12
LEU B 108
ILE B 112
ALA B 115
LEU A  60
LEU A  25
1.42A22.22
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 8
MET B  92
LEU A  61
LEU A  64
LEU A  25
ILE B 112
1.55A17.15
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA B 193
VAL B 137
ASN B 150
LEU B 185
LEU B 189
1.43A15.84
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.
1MZ9_D_VDYD1001_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
THR A  14
LEU A  18
VAL A  21
0.20A19.77
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.
6F3M_A_ADNA502_2
(-)		Adenosine4 / 4
GLN B 162
THR B 192
THR B 146
LEU B 174
1.55A15.96
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.
5MXW_A_ML1A218_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		Melatonin5 / 11
LEU B 189
VAL B 165
ILE B 177
LEU B 174
VAL B 135
1.69A20.12
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.
3OHT_A_1N1A1000_1
(P38A)		Dasatinib5 / 12
GLY A  69
VAL A  71
LEU B 100
ILE B 112
LEU A  65
1.38A16.30
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
VAL B 120
LEU A  65
SER A  66
LEU A  76
VAL A  71
1.50A11.60
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.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 6
ILE B 190
ILE B 111
PHE B 152
PHE B  97
1.36A5.89
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.
2HS2_A_017A201_1
(PROTEASE)		Darunavir6 / 12
LEU B 122
ASP B 168
ASP B 166
PRO B 138
VAL B 136
ILE B 190
1.77A20.30
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B  96
LEU A  61
ALA B 115
ILE A  73
ILE B 112
1.23A15.94
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.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
VAL A  58
SER A  62
LEU A  65
SER A  66
LEU A  22
VAL A  27
1.42A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B 108
ALA B 155
VAL B 135
ILE B 124
ILE B 111
0.99A21.05
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.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 8
ILE B 111
ALA B 157
TYR B 154
VAL A  58
1.17A13.21
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU B  96
LEU A  60
LEU A  64
ILE B 112
LEU B 103
1.37A22.18
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.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
ILE A  73
LEU A  65
VAL A  21
LEU A  76
LEU A  64
1.57A18.58
20.77
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.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU B 189
TYR B 143
TYR B 140
LEU B 185
1.24A14.50
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.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
TRP B 159
LEU B 127
LEU A  65
ASN B 123
ILE B 111
1.36A14.60
None