Ligand ID: 225


Drugbank ID:
DB01023
(Felodipine)


Indication:
For the treatment of mild to moderate essential hypertension.

Get human targets for 225 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '225'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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. Hit
PDBID		 Hit
Macromolecule		 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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
LEU A 119
VAL A  96
THR A 105
VAL A 101
ILE A  99
1.39A23.43
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
LEU A 119
VAL A  96
THR A 105
VAL A 101
ILE A  99
1.27A23.53
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
LEU B 119
VAL B  96
THR B 105
VAL B 101
ILE B  99
1.32A23.48
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3bgf F26G19 FAB
(Mus
musculus)		5 / 10
ALA B 118
THR B 206
VAL B 199
VAL B 144
VAL B 208
1.38A18.14
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
THR E 363
VAL E 496
VAL E 389
ILE E 397
VAL E 420
1.46A16.39
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
VAL B 282
ALA B 281
THR B 277
VAL B 182
ILE B  87
1.38A21.47
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
VAL B 282
ALA B 281
THR B 277
VAL B 182
ILE B  87
1.33A21.25
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
LEU A  87
VAL A  20
VAL A  91
VAL A  77
VAL A  35
1.74A17.05
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5x4r S PROTEIN
(MERS-CoV)		5 / 10
ILE A 295
LEU A 149
ALA A 146
VAL A 118
ILE A 256
1.46A20.65
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
THR B 363
VAL B 496
VAL B 389
ILE B 397
VAL B 420
1.37A16.82
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5x5c S PROTEIN
(MERS-CoV)		5 / 10
LEU C 952
VAL C1128
VAL C1103
VAL C 853
VAL C1107
1.38A16.45
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
THR A 363
VAL A 496
VAL A 389
ILE A 397
VAL A 420
1.37A17.46
THR  A 363 ( 0.8A)
VAL  A 496 ( 0.6A)
VAL  A 389 ( 0.6A)
ILE  A 397 ( 0.7A)
VAL  A 420 ( 0.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LEU C1031
THR C 705
VAL C1050
PRO C1051
ILE C 702
1.25A17.46
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 10
LEU B1045
VAL B1043
ALA B1037
THR B 856
ILE B 787
VAL B 860
1.51A17.55
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
LEU C1045
ALA C1037
THR C 856
ILE C 787
VAL C 860
1.37A16.83
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6m71 NSP12
(SARS-CoV-2)		5 / 10
LEU A 749
VAL A 776
ALA A 771
VAL A 609
VAL A 764
1.64A20.44
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 10
LEU B1045
VAL B1043
ALA B1037
THR B 856
ILE B 787
VAL B 860
1.44A16.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 10
LEU B 164
VAL B 155
ALA B 154
VAL B 151
VAL B  16
1.66A
None
SO4  B 204 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 10
LEU B 153
VAL B 147
VAL B  34
VAL B 121
VAL B  36
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 10
LEU A 164
VAL A 155
ALA A 154
VAL A 151
VAL A  16
1.64A
None
SO4  A 203 (-4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.58A
None
None
NHE  A 202 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 10
LEU H 124
VAL H 211
VAL H 163
VAL H 152
VAL H 182
1.66A14.50
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w4h NSP16
(SARS-CoV-2)		5 / 10
ILE A7005
LEU A6978
VAL A6965
ALA A6966
ILE A6969
1.43A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w4h NSP10
NSP16
(SARS-CoV-2)		5 / 10
LEU B4345
VAL B4361
VAL A6876
VAL B4295
VAL A6902
1.46A13.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 10
ILE A6967
LEU A6959
VAL A6965
ALA A6966
ILE A6866
VAL A6865
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ILE A7005
LEU A6978
VAL A6965
ALA A6966
ILE A6969
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
VAL A6916
THR A6918
VAL A7086
VAL A6894
VAL A7087
1.74A15.40
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
LEU A6909
ALA A6905
THR A6880
VAL A6865
ILE A6866
1.75A15.40
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 10
LEU B4345
VAL B4361
VAL A6876
VAL B4295
VAL A6902
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 10
ALA A6905
THR A6880
VAL A6876
VAL A6902
VAL B4295
1.79A15.40
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
ILE B  23
ALA B  27
VAL B  34
VAL B  36
VAL B 121
1.68A16.91
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
ILE B  23
LEU B 127
ALA B 154
VAL B  35
VAL B 151
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
LEU B 164
VAL B 155
ALA B 154
VAL B 151
VAL B  16
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.65A
AMP  A 201 ( 4.0A)
None
AMP  A 201 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
ILE A  23
ALA A  27
VAL A  34
VAL A  36
VAL A 121
1.77A16.91
AMP  A 201 ( 4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
LEU A 164
VAL A 155
ALA A 154
VAL A 151
VAL A  16
1.70A16.91
None
AMP  A 201 ( 4.4A)
AMP  A 201 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 10
LEU B 153
VAL B 147
VAL B  34
VAL B 121
VAL B  36
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ILE A7005
LEU A6978
VAL A6965
ALA A6966
ILE A6969
1.43A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
VAL A6916
THR A6918
VAL A7086
VAL A6894
VAL A7087
1.73A15.85
None
FMT  A7109 ( 4.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
LEU C6909
ALA C6905
THR C6880
VAL C6865
ILE C6866
1.75A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ILE C7005
LEU C6978
VAL C6965
ALA C6966
ILE C6969
1.44A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ALA C6870
THR C6880
VAL C6894
ILE C6866
VAL C6865
1.70A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
LEU A6909
ALA A6905
THR A6880
VAL A6865
ILE A6866
1.75A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
(SARS-CoV-2)		5 / 10
LEU B4328
VAL D4274
ALA D4273
PRO B4290
ILE B4291
1.49A13.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		6 / 10
ILE A6967
LEU A6959
VAL A6965
ALA A6966
ILE A6866
VAL A6865
1.58A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ALA A6870
THR A6880
VAL A6894
ILE A6866
VAL A6865
1.71A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 10
ALA A6905
THR A6880
VAL A6876
VAL A6902
VAL B4295
1.72A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		6 / 10
ILE C6967
LEU C6959
VAL C6965
ALA C6966
ILE C6866
VAL C6865
1.58A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 10
LEU B4345
VAL B4361
VAL A6876
VAL B4295
VAL A6902
1.48A13.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 10
LEU D4345
VAL D4361
VAL C6876
VAL D4295
VAL C6902
1.47A13.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
(SARS-CoV-2)		5 / 10
LEU D4328
VAL B4274
ALA B4273
PRO D4290
ILE D4291
1.44A13.95
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.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 10
ALA C6905
THR C6880
VAL C6876
VAL C6902
VAL D4295
1.75A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
ILE A 300
VAL A 303
ALA A 261
THR A 119
VAL A 165
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
ILE B 300
VAL B 303
ALA B 261
THR B 119
VAL B 165
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wcf NSP3
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wcf NSP3
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wen NSP3
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wen NSP3
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wey NSP3
(SARS-CoV-2)		5 / 10
LEU A 368
VAL A 359
ALA A 358
VAL A 355
VAL A 220
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wey NSP3
(SARS-CoV-2)		5 / 10
LEU A 357
VAL A 351
VAL A 238
VAL A 325
VAL A 240
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wey NSP3
(SARS-CoV-2)		5 / 10
ILE A 227
LEU A 331
ALA A 358
VAL A 239
VAL A 355
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wiq NSP8
(SARS-CoV-2)		5 / 10
ILE B 156
ALA B 188
VAL B 159
ILE B 132
VAL B 131
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt NSP10
(SARS-CoV-2)		5 / 10
LEU B4328
VAL D4274
ALA D4273
PRO B4290
ILE B4291
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ILE C7005
LEU C6978
VAL C6965
ALA C6966
ILE C6969
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 10
ILE A6967
LEU A6959
VAL A6965
ALA A6966
ILE A6866
VAL A6865
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 10
LEU B4345
VAL B4361
VAL A6876
VAL B4295
VAL A6902
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt NSP10
(SARS-CoV-2)		5 / 10
LEU D4328
VAL B4274
ALA B4273
PRO D4290
ILE D4291
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 10
ILE C6967
LEU C6959
VAL C6965
ALA C6966
ILE C6866
VAL C6865
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ILE A7005
LEU A6978
VAL A6965
ALA A6966
ILE A6969
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 10
LEU D4345
VAL D4361
VAL C6876
VAL D4295
VAL C6902
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP10
(SARS-CoV-2)		5 / 10
LEU D4328
VAL B4274
ALA B4273
PRO D4290
ILE D4291
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		6 / 10
ILE C6967
LEU C6959
VAL C6965
ALA C6966
ILE C6866
VAL C6865
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP10
(SARS-CoV-2)		5 / 10
LEU B4328
VAL D4274
ALA D4273
PRO B4290
ILE B4291
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ILE C7005
LEU C6978
VAL C6965
ALA C6966
ILE C6969
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ILE A7005
LEU A6978
VAL A6965
ALA A6966
ILE A6969
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 10
LEU B4345
VAL B4361
VAL A6876
VAL B4295
VAL A6902
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		6 / 10
ILE A6967
LEU A6959
VAL A6965
ALA A6966
ILE A6866
VAL A6865
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 10
LEU D4345
VAL D4361
VAL C6876
VAL D4295
VAL C6902
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
LEU A 143
ALA A  81
THR A  84
VAL A  67
ILE A 144
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
LEU B 143
ALA B  81
THR B  84
VAL B  67
ILE B 144
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
LEU B 164
VAL B 155
ALA B 154
VAL B 151
VAL B  16
1.67A
None
None
APR  B 201 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
LEU C 153
VAL C 147
VAL C  34
VAL C 121
VAL C  36
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
LEU B 153
VAL B 147
VAL B  34
VAL B 121
VAL B  36
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
LEU D 153
VAL D 147
VAL D  34
VAL D 121
VAL D  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
LEU D 164
VAL D 155
ALA D 154
VAL D 151
VAL D  16
1.66A
None
None
APR  D 201 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ILE D  23
LEU D 127
ALA D 154
VAL D  35
VAL D 151
1.64A
APR  D 201 (-3.8A)
None
APR  D 201 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ILE B  23
LEU B 127
ALA B 154
VAL B  35
VAL B 151
1.65A
APR  B 201 (-3.8A)
None
APR  B 201 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.64A
APR  A 201 (-4.0A)
None
APR  A 201 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ILE C  23
LEU C 127
ALA C 154
VAL C  35
VAL C 151
1.65A
APR  C 201 (-3.9A)
None
APR  C 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 10
ILE A6967
LEU A6959
VAL A6965
ALA A6966
ILE A6866
VAL A6865
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ILE A7005
LEU A6978
VAL A6965
ALA A6966
ILE A6969
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 10
LEU B4345
VAL B4361
VAL A6876
VAL B4295
VAL A6902
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
VAL B  83
ALA B  86
VAL A  12
VAL A  16
VAL C  11
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
VAL D  83
ALA D  86
VAL C  12
VAL C  16
VAL A  11
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
VAL D  83
ALA D  86
VAL C  12
VAL C  16
VAL A  11
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
ILE B 156
ALA B 188
VAL B 159
ILE B 132
VAL B 131
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
LEU B 128
VAL B 215
VAL B 167
VAL B 156
VAL B 186
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
LEU H 128
VAL H 215
VAL H 167
VAL H 156
VAL H 186
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 10
LEU H 128
VAL H 215
VAL H 167
VAL H 156
VAL H 186
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
LEU B 128
VAL B 215
VAL B 167
VAL B 156
VAL B 186
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
LEU H 128
VAL H 215
VAL H 167
VAL H 156
VAL H 186
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU E 153
VAL E 147
VAL E  34
VAL E 121
VAL E  36
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU D 153
VAL D 147
VAL D  34
VAL D 121
VAL D  36
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU B 153
VAL B 147
VAL B  34
VAL B 121
VAL B  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU C 164
VAL C 155
ALA C 154
VAL C 151
VAL C  16
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE D  23
LEU D 127
ALA D 154
VAL D  35
VAL D 151
1.65A
EDO  D 208 (-4.0A)
None
EDO  D 208 (-4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU C 153
VAL C 147
VAL C  34
VAL C 121
VAL C  36
1.58A
None
None
EDO  C 207 (-4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE B  23
LEU B 127
ALA B 154
VAL B  35
VAL B 151
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.67A
None
EDO  A 202 ( 4.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE E  23
LEU E 127
ALA E 154
VAL E  35
VAL E 151
1.66A
APR  E 201 (-4.1A)
None
APR  E 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU D 153
VAL D 147
VAL D  34
VAL D 121
VAL D  36
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU C 153
VAL C 147
VAL C  34
VAL C 121
VAL C  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU C 164
VAL C 155
ALA C 154
VAL C 151
VAL C  16
1.67A
None
APR  C 201 ( 4.9A)
APR  C 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU E 153
VAL E 147
VAL E  34
VAL E 121
VAL E  36
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU B 153
VAL B 147
VAL B  34
VAL B 121
VAL B  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.66A
APR  A 201 (-3.9A)
None
APR  A 201 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE B  23
LEU B 127
ALA B 154
VAL B  35
VAL B 151
1.66A
APR  B 201 (-4.1A)
None
APR  B 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU B 164
VAL B 155
ALA B 154
VAL B 151
VAL B  16
1.66A
None
None
APR  B 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE C  23
LEU C 127
ALA C 154
VAL C  35
VAL C 151
1.67A
APR  C 201 (-3.9A)
None
APR  C 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE D  23
LEU D 127
ALA D 154
VAL D  35
VAL D 151
1.67A
APR  D 201 (-3.9A)
None
APR  D 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU B 153
VAL B 147
VAL B  34
VAL B 121
VAL B  36
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU C 153
VAL C 147
VAL C  34
VAL C 121
VAL C  36
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE B  23
LEU B 127
ALA B 154
VAL B  35
VAL B 151
1.66A
EDO  B 202 (-4.0A)
None
EDO  B 202 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE B  23
ALA B  27
VAL B  34
VAL B  36
VAL B 121
1.66A
EDO  B 202 (-4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE C  23
LEU C 127
ALA C 154
VAL C  35
VAL C 151
1.64A
EDO  C 206 (-4.1A)
None
EDO  C 206 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
LEU A 153
VAL A 147
VAL A  34
VAL A 121
VAL A  36
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ILE A  23
LEU A 127
ALA A 154
VAL A  35
VAL A 151
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
LEU A  67
VAL A  77
THR A  93
VAL A  18
VAL A  73
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7btf NSP8
(SARS-CoV-2)		5 / 10
ILE B 156
ALA B 188
VAL B 159
ILE B 132
VAL B 131
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7btf NSP8
(SARS-CoV-2)		5 / 10
ILE B 172
THR B 141
VAL B 159
ILE B 185
VAL B 130
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		5 / 10
LEU A 749
VAL A 776
ALA A 771
VAL A 609
VAL A 764
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
LEU A 749
VAL A 776
ALA A 771
VAL A 609
VAL A 764
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
LEU A 749
VAL A 776
ALA A 771
VAL A 609
VAL A 764
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 10
LEU A 389
ALA B 188
THR B 187
VAL B 159
ILE B 132
1.67A
None