Ligand ID: CGE


Drugbank ID:
DB00758
(Clopidogrel)



Indication:
For the reduction of atherosclerotic events (myocardial infarction, stroke, and vascular death) in patients with atherosclerosis documented by recent stroke, recent myocardial infarction, or established peripheral arterial disease.


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

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

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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
1wof 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 11
ILE B 136
ILE B 106
PHE B   8
THR B 292
ILE B 200
1.25A23.34
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
1wof 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.58A23.34
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 11
ILE B1136
ILE B1106
PHE B1008
THR B1292
ILE B1200
1.27A23.81
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.36A23.61
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)
6 / 11
ILE A 335
ILE A 303
ALA A 336
ILE A 217
VAL A 218
VAL A 216
1.66A17.25
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)
5 / 10
PHE C 188
ALA C 336
ILE C 217
VAL C 218
VAL C 216
1.32A17.03
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)
6 / 11
ILE H 177
ALA H 186
ALA H 167
ILE H 190
VAL H 136
VAL H 191
1.56A17.12
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
2ajf SPIKE PROTEIN
(SARSr-CoV)
5 / 9
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.47A16.21
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2ajf SPIKE PROTEIN
(SARSr-CoV)
5 / 10
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.44A16.21
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2amq 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.41A23.34
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
2dd8 IGG HEAVY CHAIN
(Homo
sapiens)
5 / 8
PHE H  63
ALA H  88
THR H 108
VAL H  18
VAL H  20
1.53A17.54
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)
6 / 11
ILE C 154
ILE C 122
ALA C 155
ILE C  36
VAL C  37
VAL C  35
1.64A16.88
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)
5 / 10
PHE C   7
ALA C 155
ILE C  36
VAL C  37
VAL C  35
1.33A16.98
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)
5 / 10
PHE A   7
ALA A 155
ILE A  36
VAL A  37
VAL A  35
1.30A16.98
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)
5 / 8
PHE C   7
ILE C 122
ALA C 155
VAL C  37
VAL C  35
1.65A16.98
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)
6 / 11
ILE C 397
PHE C 329
LEU C 499
THR C 425
VAL C 394
VAL C 389
1.74A18.64
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 10
VAL C 382
PHE C 501
ILE C 345
VAL C 497
VAL C 328
1.42A18.64
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL C 382
PHE C 501
ILE C 345
VAL C 497
VAL C 328
1.43A18.64
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2gri NSP3
(SARSr)
5 / 11
PHE A  88
ILE A  24
LEU A  28
ALA A  61
VAL A  22
1.30A13.79
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)
5 / 11
ILE A 143
LEU A  72
ALA A  80
ALA A  81
VAL A 127
1.25A20.75
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)
5 / 9
VAL A  24
ILE A  42
ALA A  54
VAL A   5
VAL A   9
1.49A20.75
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)
5 / 8
PHE A 134
ILE A 143
ALA A  81
THR A  83
VAL A  77
1.74A20.75
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr)
5 / 10
VAL A   9
ALA A  54
ILE A  26
VAL A  31
VAL A  24
1.48A20.75
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.44A14.12
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.41A22.90
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 11
ILE C 143
LEU C  72
ALA C  80
ALA C  81
VAL C 127
1.17A21.48
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 8
PHE B 134
ILE B 143
ALA B  81
THR B  83
VAL B  77
1.72A21.48
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2qc2 3C-LIKE PROTEINASE
(-)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.37A23.34
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 9
VAL F  24
ILE F  42
ALA F  54
VAL F   5
VAL F   9
1.44A20.80
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 8
PHE D 134
ILE D 143
ALA D  81
THR D  83
VAL D  77
1.72A20.80
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 11
ILE B 143
LEU B  72
ALA B  80
ALA B  81
VAL B 127
1.26A20.80
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 10
VAL A   9
ALA A  54
ILE A  26
VAL A  31
VAL A  24
1.40A20.80
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
2vj1 MAIN PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.44A23.27
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 11
ILE A 128
ILE A 207
ILE A 127
ALA A 209
VAL A  67
1.28A20.68
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 11
ILE A 128
ILE A 207
ILE A 127
ALA A 209
VAL A  67
1.28A20.76
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3bgf SPIKE PROTEIN S1
(SARSr-CoV)
5 / 9
VAL A 382
PHE A 501
ILE A 345
VAL A 497
VAL A 328
1.47A16.53
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3bgf SPIKE PROTEIN S1
(SARSr-CoV)
6 / 11
ILE S 397
PHE S 329
LEU S 499
THR S 425
VAL S 394
VAL S 389
1.71A16.42
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3bgf SPIKE PROTEIN S1
(SARSr-CoV)
5 / 10
VAL A 382
PHE A 501
ILE A 345
VAL A 497
VAL A 328
1.44A16.53
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3bgf F26G19 FAB
(Mus
musculus)
5 / 11
ILE H  51
LEU H   4
ALA H  78
ALA H  71
THR H  73
1.24A17.86
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL E 382
PHE E 501
ILE E 345
VAL E 497
VAL E 328
1.49A15.82
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 11
PHE B 438
ILE B 446
ALA B 413
ALA B 412
ILE B 407
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.56A15.82
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 9
VAL B 318
PHE B 315
ILE B 544
ALA B 412
THR B 414
1.49A20.29
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.42A16.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 10
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.40A16.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)
6 / 11
ILE E 397
PHE E 329
LEU E 499
THR E 425
VAL E 394
VAL E 389
1.78A16.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3e91 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.41A23.59
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3e91 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 11
ILE B 136
ILE B 106
PHE B   8
THR B 292
ILE B 200
1.28A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3e91 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.57A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.42A23.38
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 11
ILE B 136
ILE B 106
PHE B   8
THR B 292
ILE B 200
1.25A23.34
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.43A22.64
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.43A23.34
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.59A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.40A23.59
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.28A23.34
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 11
ILE A 128
ILE A 207
ILE A 127
ALA A 209
VAL A  67
1.28A21.37
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3sci ACE2
(Homo
sapiens)
5 / 9
VAL B 318
PHE B 315
ILE B 544
ALA B 412
THR B 414
1.58A21.28
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.50A17.36
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)
6 / 11
ILE E 397
PHE E 329
LEU E 499
THR E 425
VAL E 394
VAL E 389
1.75A17.29
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.34A16.98
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 10
VAL F 382
PHE F 501
ILE F 345
VAL F 497
VAL F 328
1.32A16.98
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 9
VAL B 318
PHE B 315
ILE B 544
ALA B 412
THR B 414
1.56A20.80
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL E 382
PHE E 501
ILE E 345
VAL E 497
VAL E 328
1.47A16.56
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)
6 / 11
ILE E 397
PHE E 329
LEU E 499
THR E 425
VAL E 394
VAL E 389
1.75A16.88
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 11
PHE B 438
ILE B 446
ALA B 413
ALA B 412
ILE B 407
1.25A21.18
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 10
VAL E 382
PHE E 501
ILE E 345
VAL E 497
VAL E 328
1.44A16.56
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3sna 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.44A22.88
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
3snd 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.27A23.59
None
None
None
None
MRD  A 307 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
3vb6 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 9
VAL B 212
PHE B 219
ILE B 259
ALA B 266
THR B 224
1.57A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
3vb6 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.37A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.44A23.90
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
4mds 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.42A23.13
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)
5 / 8
PHE A  79
PHE A 148
ILE A 152
ALA A 132
VAL A 173
1.53A21.09
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)
5 / 9
PHE A  79
PHE A 148
ILE A 152
ALA A 132
VAL A 173
1.56A21.09
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
4tww 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.44A23.38
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.44A23.52
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 8
PHE D 198
ILE D 166
PHE D 111
VAL D 181
VAL D 236
1.63A23.72
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
5 / 8
PHE B 198
ILE B 166
PHE B 111
VAL B 181
VAL B 236
1.65A23.64
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
5r82 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.30A21.73
None
None
DMS  A1003 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
5r84 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.44A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
ILE A 249
PHE A 294
THR A 111
VAL A 202
1.31A16.42
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.45A16.42
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.29A16.42
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.31A16.42
None
None
DMS  A 402 (-3.8A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
ILE A 249
THR A 201
VAL A 261
VAL A 247
1.68A16.42
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
PHE A 223
ALA A 266
THR A 225
VAL A 233
1.55A16.42
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
ALA A  94
THR A  93
VAL A  36
VAL A  77
1.78A16.42
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.49A16.42
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
ILE A  78
ALA A  94
VAL A  36
VAL A  77
1.53A16.42
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 11
ILE A 650
ILE A 674
PHE A 629
ILE A 652
ALA A 639
1.18A16.99
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 9
VAL B 382
PHE B 501
ILE B 345
VAL B 497
VAL B 328
1.59A16.71
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
4 / 8
ILE C 637
ALA C 609
THR C 608
VAL C 601
0.87A16.71
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 10
VAL A1015
PHE A 870
ALA A 857
ILE A 852
VAL A1042
1.39A16.71
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
5x5c S PROTEIN
(MERS-CoV)
6 / 10
PHE A 385
PHE A 423
ILE A 480
ALA A 434
ILE A 428
VAL A 575
1.54A16.48
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
5x5c S PROTEIN
(MERS-CoV)
5 / 11
ILE B  56
PHE B 354
ALA B 336
ALA B  53
ILE B  48
1.20A16.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5x5f S PROTEIN
(MERS-CoV)
5 / 8
PHE C 385
PHE C 423
ILE C 480
ALA C 434
VAL C 575
1.64A16.48
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 8
PHE C 784
ILE C 787
PHE C 909
VAL C1015
VAL C 860
1.64A17.59
PHE  C 784 ( 1.3A)
ILE  C 787 ( 0.7A)
PHE  C 909 ( 1.3A)
VAL  C1015 ( 0.6A)
VAL  C 860 ( 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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL A 254
PHE A  69
PHE A 103
ILE A  87
ALA A 233
1.56A17.59
VAL  A 254 ( 0.6A)
PHE  A  69 ( 1.3A)
PHE  A 103 ( 1.3A)
ILE  A  87 ( 0.6A)
ALA  A 233 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 11
ILE B 674
ILE B 656
ALA B 639
ALA B 595
ILE B 299
1.21A17.43
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 8
PHE B 784
ILE B 787
PHE B 909
VAL B1015
VAL B 860
1.50A17.21
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6acg ACE2
(Homo
sapiens)
5 / 11
PHE D 438
ILE D 446
ALA D 413
ALA D 412
ILE D 407
1.30A21.66
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
VAL B 596
ILE B 637
ALA B 609
THR B 608
VAL B 601
1.18A17.21
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 10
VAL B 596
ILE B 637
ALA B 609
THR B 608
VAL B 601
1.18A17.21
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 8
PHE C 784
ILE C 787
PHE C 909
VAL C1015
VAL C 860
1.57A17.48
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 9
VAL B 382
PHE B 501
ILE B 345
VAL B 497
VAL B 328
1.40A17.30
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
4 / 8
PHE B1103
ILE B1086
ALA B1062
VAL B1119
1.02A17.30
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 11
PHE C 782
ILE C 702
ALA C 885
ILE C 891
VAL C 893
1.29A17.58
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 10
VAL B 114
PHE B 130
PHE B 161
ILE B 164
VAL B 124
1.33A17.30
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6jyt HELICASE
(SARSr)
5 / 11
ILE B 399
PHE B 262
ALA B 296
ILE B 370
VAL B 372
1.28A22.74
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6lze VIRAL PROTEASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.47A21.89
None
None
DMS  A 402 (-3.8A)
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6lze VIRAL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.64A21.37
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6lze VIRAL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.47A21.37
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.30A21.37
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL B 395
PHE B 515
ILE B 358
VAL B 511
VAL B 341
1.42A17.84
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 10
VAL B 395
PHE B 515
ILE B 358
VAL B 511
VAL B 341
1.40A17.84
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.29A21.32
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m0k VIRAL PROTEASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.44A21.84
None
None
DMS  A 404 (-3.8A)
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6m0k VIRAL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.71A21.32
None
None
None
None
DMS  A 401 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m0k VIRAL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.48A21.32
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m17 ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)
6 / 11
PHE C 467
ALA C 202
ALA C 204
ILE D 753
VAL D 749
VAL D 754
1.76A21.35
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6m17 ACE2
(Homo
sapiens)
5 / 9
VAL B 318
PHE B 315
ILE B 544
ALA B 412
THR B 414
1.50A19.66
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m18 ACE2
(Homo
sapiens)
5 / 10
PHE D 643
ILE D 618
ALA D 703
ILE D 695
VAL D 685
1.43A19.66
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m1d ACE2
(Homo
sapiens)
6 / 11
ILE B 618
ILE B 704
LEU B 722
ALA B 648
VAL B 685
VAL B 700
1.60A19.83
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 11
PHE A 219
LEU A 271
ALA A 210
THR A 257
VAL A 261
1.50A21.73
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL B  73
ALA B  94
THR B  98
VAL B  36
VAL B  18
1.67A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 8
ILE C 249
PHE C 294
THR C 111
VAL C 202
1.27A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 11
ILE B 136
ILE B 106
PHE B   8
THR B 292
ILE B 200
1.39A21.73
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 8
PHE B 219
ILE B 259
ALA B 210
VAL B 261
1.31A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.34A21.73
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL B  73
ALA B  94
THR B  98
VAL B  36
VAL B  18
1.69A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL D 296
ILE D 213
ALA D 255
ILE D 259
VAL D 212
1.44A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 11
ILE C 136
ILE C 106
PHE C   8
THR C 292
ILE C 200
1.31A21.73
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL D  73
ALA D  94
THR D  98
VAL D  36
VAL D  18
1.69A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.35A21.22
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.65A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL C 296
ILE C 213
ALA C 255
ILE C 259
VAL C 212
1.42A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.47A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.65A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 11
ILE D 136
ILE D 106
PHE D   8
THR D 292
ILE D 200
1.32A21.73
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.66A21.22
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL C  73
ALA C  94
THR C  98
VAL C  36
VAL C  18
1.73A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.69A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL D  73
ALA D  94
THR D  98
VAL D  36
VAL D  18
1.69A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
ILE C 249
PHE C 294
THR C 111
ILE C 200
VAL C 202
1.79A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL D  73
ALA D  94
THR D  98
VAL D  36
VAL D  18
1.73A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2n 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL B 296
ILE B 213
ALA B 255
ILE B 259
VAL B 212
1.46A21.22
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.66A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.31A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.69A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.66A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.63A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 8
ILE A 249
PHE A 294
THR A 111
VAL A 202
1.27A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.50A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m2q 3CL PROTEASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.31A21.73
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
4 / 8
PHE A 859
PHE A 422
ALA A 423
VAL A 880
1.17A18.93
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP12
NSP8
(SARS-CoV-2)
6 / 11
PHE A 407
ILE B 185
ALA B 162
ALA B 181
VAL B 167
VAL B 186
1.76A19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
5 / 9
VAL A 587
PHE A 480
ILE A 589
ALA A 690
THR A 687
1.59A18.93
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
5 / 10
VAL A 742
THR A 586
ILE A 696
VAL A 476
VAL A 700
1.56A18.93
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 690
ALA A 688
ILE A 579
VAL A 587
1.44A19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ILE B 172
ALA B 162
VAL B 131
VAL B 186
1.39A18.00
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m71 NSP8
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.64A18.00
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP12
NSP8
(SARS-CoV-2)
6 / 11
PHE A 407
ILE B 185
ALA B 162
ALA B 181
VAL B 167
VAL B 159
1.80A19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP8
(SARS-CoV-2)
5 / 11
ILE B 172
ALA B 162
ILE B 185
VAL B 131
VAL B 186
1.51A18.00
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP8
(SARS-CoV-2)
5 / 11
ILE B 172
ALA B 181
ALA B 162
ILE B 185
VAL B 159
1.48A18.00
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
5 / 10
PHE A 480
ILE A 696
ALA A 690
ILE A 589
VAL A 587
1.68A18.93
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ILE A 589
ALA A 690
ILE A 696
VAL A 587
1.28A19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
4 / 8
PHE A 287
ALA A 250
THR A 248
VAL A 128
1.02A18.93
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
4 / 8
PHE A 753
ILE A 757
VAL A 605
VAL A 588
1.34A18.93
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6m71 NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ALA A 690
ALA A 634
ILE A 696
VAL A 587
1.36A19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 9
PHE B 784
ILE B 787
PHE B 909
VAL B1015
VAL B 860
1.55A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 8
PHE B 784
ILE B 787
PHE B 909
VAL B1015
VAL B 860
1.51A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6nus NSP12
NSP8
(SARSr-CoV)
5 / 11
ALA A 382
ALA A 383
THR B 124
ILE B 106
VAL B 115
1.00A20.33
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6nus NSP8
(SARSr-CoV)
5 / 11
ILE B 185
ALA B 162
ALA B 181
ILE B 172
VAL B 167
1.30A17.31
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 10
VAL C 395
PHE C 515
ILE C 358
VAL C 511
VAL C 341
1.27A16.84
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL C 395
PHE C 515
ILE C 358
VAL C 511
VAL C 341
1.28A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 11
ILE B 402
ILE B 418
ALA B 411
VAL B 510
VAL B 350
1.29A17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
6 / 11
ILE F 410
PHE F 342
LEU F 513
THR F 438
VAL F 407
VAL F 402
1.75A18.09
None
NAG  F 601 (-4.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6vw1 ACE2
(Homo
sapiens)
6 / 11
PHE A 314
ILE A 421
ALA A 412
ALA A 413
ILE A 291
VAL A 293
1.69A20.93
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6vw1 ACE2
(Homo
sapiens)
5 / 9
VAL B 318
PHE B 315
ILE B 544
ALA B 412
THR B 414
1.58A20.77
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
4 / 8
PHE B 342
ILE B 296
THR B 326
VAL B 276
0.99A21.16
None
None
GOL  B 401 ( 3.9A)
GOL  B 401 (-4.6A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6vxs NSP3
(SARS-CoV-2)
4 / 8
PHE A 168
THR A  13
VAL A 151
VAL A 147
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6vxs NSP3
(SARS-CoV-2)
5 / 11
PHE A 132
ALA A  39
ALA A  50
ILE A  23
VAL A  35
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6vxs NSP3
(SARS-CoV-2)
4 / 8
ILE A  18
ALA A 124
VAL A 147
VAL A  16
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL A 395
PHE A 515
ILE A 358
VAL A 511
VAL A 341
1.49A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL A 395
PHE A 515
ILE A 358
VAL A 511
VAL A 341
1.46A17.61
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 10
VAL A 395
PHE A 515
ILE A 358
VAL A 511
VAL A 341
1.44A17.61
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
6 / 11
ILE B  80
ILE B 100
ALA B 138
ALA B 118
THR B 115
ILE B 116
1.71A21.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL B  10
ALA B  55
ILE B  27
VAL B  32
VAL B  25
1.39A21.16
None
None
None
None
EDO  B 402 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
PHE C 515
ILE C 358
VAL C 511
VAL C 341
1.51A17.26
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)
5 / 11
ILE H  50
ILE H  69
LEU H   4
ALA H  78
ALA H  71
1.46A14.84
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 8
PHE L 118
PHE L 116
ALA H 136
VAL H 163
1.57A14.89
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
PHE C 400
PHE C 374
ILE C 434
VAL C 341
1.72A17.26
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
5 / 11
ILE H  34
ILE H  51
LEU H  80
THR L  94
ILE H  98
1.65A14.84
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
PHE C 347
ILE C 402
THR C 376
VAL C 512
1.59A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 8
PHE L 116
ALA H 136
THR H 135
VAL H 181
1.75A14.89
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
5 / 9
VAL C 395
PHE C 515
ILE C 358
VAL C 511
VAL C 341
1.42A17.26
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
5 / 11
ILE C 402
ILE C 418
ALA C 411
VAL C 510
VAL C 350
1.52A17.26
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)
5 / 11
ILE H  50
ILE H  69
PHE H  29
LEU H   4
ALA H  71
1.78A14.84
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)
5 / 11
ILE H  20
LEU H   4
ALA H  78
ALA H  71
THR H  57
1.59A14.84
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
5 / 9
VAL C 395
PHE C 515
ILE C 358
VAL C 511
VAL C 341
1.47A17.26
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
5 / 9
VAL H 181
PHE L 118
PHE L 116
THR H 131
VAL H 184
1.79A16.82
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)
4 / 8
PHE C 377
ILE H  30
PHE C 374
ALA C 435
1.78A17.26
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
5 / 10
VAL C 395
PHE C 515
ILE C 358
VAL C 511
VAL C 341
1.45A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
ILE C 402
ALA C 419
VAL C 433
VAL C 510
1.39A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
ILE C 418
ALA C 411
VAL C 510
VAL C 350
1.41A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 8
PHE L 209
ALA L 130
THR L 180
VAL L 150
1.78A14.89
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
PHE C 347
ILE C 434
ALA C 397
VAL C 433
1.45A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
PHE C 400
ALA C 348
VAL C 341
VAL C 511
1.74A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
PHE C 464
PHE C 429
ALA C 411
VAL C 510
1.69A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 SPIKE PROTEIN S1
(SARS-CoV-2)
4 / 8
ILE C 418
ALA C 435
VAL C 401
VAL C 350
1.53A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)
4 / 8
PHE C 429
ILE H  98
THR H  31
VAL C 382
1.43A17.26
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 8
PHE L 118
ILE L 117
VAL L 146
VAL L 115
1.58A14.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
ILE A6925
ALA A6870
VAL A6894
VAL A6865
1.75A16.28
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A6985
ILE A6925
ALA A6960
VAL A6865
1.46A16.28
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 11
ILE A6967
ILE A6951
LEU A6981
THR A6918
ILE A6866
1.77A16.28
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A6954
ILE A6925
THR A6918
VAL A6894
1.62A16.28
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 9
VAL A6965
PHE A6985
ILE A6925
ALA A6960
VAL A6865
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A6991
ILE A7005
ALA A7002
THR A6993
1.65A16.28
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A6901
ILE A6910
ALA A6905
THR A6880
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 11
ILE A6926
PHE A6985
LEU A6959
ALA A6966
VAL A6859
1.66A16.28
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A7003
ALA A6870
VAL A6882
VAL A6842
1.79A16.28
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
ILE A6838
THR A6993
VAL A6882
VAL A6842
1.65A16.28
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 NSP10
(SARS-CoV-2)
4 / 8
ILE B4308
ALA B4314
THR B4304
VAL B4369
1.75A14.13
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A7043
ILE A6838
ALA A6832
VAL A6842
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A6954
ILE A6866
ALA A6960
VAL A7086
1.65A16.28
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.49A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.59A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE B   6
ILE B  23
ALA B  89
VAL B  24
1.66A17.16
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
PHE A 132
ALA A  39
ALA A  50
ILE A  23
VAL A  35
1.51A
AMP  A 201 ( 4.3A)
None
None
AMP  A 201 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
ILE B  18
ALA B 124
VAL B 147
VAL B  16
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
LEU B 109
ALA B 129
ILE B  23
VAL B  49
VAL B  36
1.58A17.23
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
LEU A  75
ALA A  39
ALA A  50
ILE A  23
VAL A  35
1.68A17.23
None
None
None
AMP  A 201 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE A 132
ILE A 131
ALA A 134
VAL A  49
1.73A17.16
AMP  A 201 ( 4.3A)
AMP  A 201 ( 3.6A)
None
AMP  A 201 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE A   6
PHE A 116
VAL A  16
VAL A 147
1.74A17.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE B   6
ALA B  27
VAL B  36
VAL B 151
1.54A17.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
ILE A  18
ALA A 124
VAL A 147
VAL A  16
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE A   6
ALA A  27
VAL A  36
VAL A 151
1.55A17.16
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
LEU A 109
ALA A 129
ILE A  23
VAL A  49
VAL A  36
1.61A17.23
None
AMP  A 201 ( 3.4A)
AMP  A 201 ( 4.0A)
AMP  A 201 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE A   6
ILE A  23
ALA A  89
VAL A  24
1.64A17.16
None
AMP  A 201 ( 4.0A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE B   6
ALA B 154
VAL B  36
VAL B  34
1.48A17.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE B   6
PHE B 116
VAL B  16
VAL B 147
1.70A17.16
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
ILE B  23
ALA B  89
THR B  57
VAL B  24
VAL B  49
1.78A17.23
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE A 132
ALA A 112
VAL A  36
VAL A  49
1.30A
AMP  A 201 ( 4.3A)
None
None
AMP  A 201 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
ILE A  23
ALA A  89
THR A  57
VAL A  24
VAL A  49
1.79A17.23
AMP  A 201 ( 4.0A)
None
None
None
AMP  A 201 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
5 / 11
LEU B  75
ALA B  39
ALA B  50
ILE B  23
VAL B  35
1.64A17.23
None
None
MES  B 201 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w6y NSP3
(SARS-CoV-2)
4 / 8
PHE A   6
ALA A 154
VAL A  36
VAL A  34
1.51A17.16
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
ILE C6866
ALA C6919
VAL A7094
VAL C6894
1.49A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C7043
ILE C6838
ALA C6832
VAL C6842
1.27A14.78
None
None
FMT  C7111 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
ILE C6838
THR C6993
VAL C6882
VAL C6842
1.68A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE A7003
ALA A6870
VAL A6882
VAL A6842
1.75A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
ILE A6925
ALA A6870
VAL A6894
VAL A6865
1.74A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE A6991
ILE A7005
ALA A7002
THR A6993
1.67A14.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
5 / 11
ILE A7079
LEU A6887
ALA A6858
THR A6856
VAL A6965
1.77A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C6954
ILE C6955
ALA C6960
VAL C6965
1.79A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE A6954
ILE A6925
THR A6918
VAL A6894
1.56A14.78
None
None
FMT  A7109 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
ILE A6838
THR A6993
VAL A6882
VAL A6842
1.66A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE A7043
ILE A6838
ALA A6832
VAL A6842
1.32A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C7003
ALA C6870
VAL C6882
VAL C6842
1.77A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C6985
ILE C6925
ALA C6960
VAL C6865
1.47A14.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
5 / 11
ILE A6926
PHE A6985
LEU A6959
ALA A6966
VAL A6859
1.61A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE A6901
ILE A6910
ALA A6905
THR A6880
1.43A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE A6985
ILE A6925
ALA A6960
VAL A6865
1.47A14.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
5 / 11
ILE C6926
PHE C6985
LEU C6959
ALA C6966
VAL C6859
1.59A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP10
(SARS-CoV-2)
4 / 8
ILE D4308
ALA D4314
THR D4304
VAL D4369
1.77A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C6954
ILE C6925
THR C6918
VAL C6894
1.57A14.78
None
None
FMT  C7113 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
5 / 11
ILE C7088
ILE C6866
ALA C6905
THR C6891
VAL A7094
1.69A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP10
(SARS-CoV-2)
4 / 8
ILE B4308
ALA B4314
THR B4304
VAL B4369
1.74A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
5 / 9
VAL A6965
PHE A6985
ILE A6925
ALA A6960
VAL A6865
1.54A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
ILE C6925
ALA C6870
VAL C6894
VAL C6865
1.75A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C6901
ILE C6910
ALA C6905
THR C6880
1.42A14.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
5 / 11
ILE A7088
ILE A6866
ALA A6905
THR A6891
VAL C7094
1.62A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP10
(SARS-CoV-2)
4 / 8
ILE D4291
PHE B4272
ALA D4276
VAL D4361
1.75A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w75 NSP16
(SARS-CoV-2)
4 / 8
PHE C6991
ILE C7005
ALA C7002
THR C6993
1.66A14.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)
4 / 8
PHE A  79
PHE A 147
ILE A 151
ALA A 131
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)
4 / 8
PHE A 127
PHE A 304
ILE A 123
PHE A 173
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)
4 / 8
PHE C  79
PHE C 147
ILE C 151
ALA C 131
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)
4 / 8
PHE B  79
PHE B 147
ILE B 151
ALA B 131
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wcf NSP3
(SARS-CoV-2)
5 / 10
VAL A 121
PHE A   6
PHE A 116
VAL A  16
VAL A 147
1.80A16.93
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wen NSP3
(SARS-CoV-2)
4 / 8
PHE A 132
ALA A 112
VAL A  36
VAL A  49
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wey NSP3
(SARS-CoV-2)
5 / 10
VAL A 325
PHE A 210
ALA A 358
VAL A 220
VAL A 351
1.76A16.94
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wiq NSP8
(SARS-CoV-2)
5 / 11
ALA B 181
ALA B 162
ILE B 185
VAL B 131
VAL B 186
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wiq NSP8
(SARS-CoV-2)
5 / 10
ILE B 156
THR B 141
ILE B 132
VAL B 130
VAL B 186
1.69A14.38
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wiq NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ILE B 172
THR B 145
ILE B 156
VAL B 159
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wiq NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ALA B 181
ALA B 162
VAL B 131
VAL B 186
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wiq NSP8
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.74A14.38
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wiq NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE B 147
ILE B 120
ALA B 110
VAL A  53
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE C 286
ILE C 337
PHE C 307
ALA C 305
1.43A
None
None
None
CL  C 401 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE E 307
ILE E 337
PHE F 315
ALA E 305
1.24A
None
None
None
CL  E 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 11
ILE D 320
ILE C 304
ILE C 337
LEU C 339
ALA C 305
1.46A
None
None
None
None
CL  C 401 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE A 314
ILE A 337
PHE B 314
ALA B 311
1.36A
None
None
None
CL  A 401 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 11
ILE B 320
ILE A 304
ILE A 337
LEU A 339
ALA A 305
1.51A
None
None
None
None
CL  A 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE D 307
ILE D 337
PHE C 315
ALA D 305
1.27A
None
None
None
CL  D 401 ( 4.6A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE F 314
ILE F 337
PHE E 314
ALA E 311
1.33A
None
None
None
CL  F 401 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE A 307
ILE A 337
PHE B 315
ALA A 305
1.26A
None
None
None
CL  A 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 11
ILE F 320
ILE E 304
ILE E 337
LEU E 339
ALA E 305
1.49A
None
None
None
None
CL  E 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 11
ILE C 320
ILE D 304
ILE D 337
LEU D 339
ALA D 305
1.46A
None
None
None
None
CL  D 401 ( 4.6A)
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 11
ILE A 320
ILE B 304
ILE B 337
LEU B 339
ALA B 305
1.48A
None
None
None
None
CL  B 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE B 314
ILE B 337
PHE A 314
ALA A 311
1.35A
None
None
None
CL  B 401 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE B 307
ILE B 337
PHE A 315
ALA B 305
1.28A
None
None
None
CL  B 401 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE F 307
ILE F 337
PHE E 315
ALA F 305
1.27A
None
None
None
CL  F 401 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE C 307
ILE C 337
PHE D 315
ALA C 305
1.27A
None
None
None
CL  C 401 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE D 314
ILE D 337
PHE C 314
ALA C 311
1.35A
None
None
None
CL  D 401 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 11
ILE E 320
ILE F 304
ILE F 337
LEU F 339
ALA F 305
1.50A
None
None
None
None
CL  F 401 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A7043
ILE A6838
ALA A6832
VAL A6842
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE C7043
ILE C6838
ALA C6832
VAL C6842
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 11
ILE A6866
ILE A7088
LEU A6892
ALA A6905
VAL A6916
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE C6901
ILE C6910
ALA C6905
THR C6880
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A6901
ILE A6910
ALA A6905
THR A6880
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 9
VAL A6965
PHE A6985
ILE A6925
ALA A6960
VAL A6865
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
4 / 8
PHE A 171
ILE A 131
ALA A  55
VAL A 133
1.36A
None
None
MES  B 201 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wkq NSP16
(SARS-CoV-2)
4 / 8
PHE C7043
ILE C6838
ALA C6832
VAL C6842
1.27A
None
None
FMT  C7111 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wkq NSP16
(SARS-CoV-2)
4 / 8
PHE A7043
ILE A6838
ALA A6832
VAL A6842
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wkq NSP16
(SARS-CoV-2)
4 / 8
PHE A6901
ILE A6910
ALA A6905
THR A6880
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wkq NSP16
(SARS-CoV-2)
5 / 9
VAL A6965
PHE A6985
ILE A6925
ALA A6960
VAL A6865
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wkq NSP16
(SARS-CoV-2)
4 / 8
PHE C6901
ILE C6910
ALA C6905
THR C6880
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
4 / 8
ILE A 144
ALA A  81
THR A  84
VAL A  70
1.40A
None
None
None
EDO  A 408 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
VAL B  67
ILE B 144
PHE B 123
ALA B  82
VAL B 128
1.65A21.06
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
4 / 8
PHE A 342
ILE A 296
THR A 326
VAL A 276
1.02A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL B  67
ILE B 144
PHE B 123
ALA B  82
VAL B 128
1.65A21.06
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 11
ILE B 144
LEU B  73
ALA B  81
ALA B  82
VAL B 128
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL A  67
ILE A  86
ALA A  82
VAL A 142
VAL A  78
1.71A21.06
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
ILE B 144
ALA B  82
THR B  84
ILE B  86
VAL B  78
1.67A21.06
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
4 / 8
PHE B 342
ILE B 296
THR B 326
VAL B 276
0.98A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL B  67
ILE B  86
ALA B  82
VAL B 142
VAL B  78
1.72A21.06
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 8
PHE A 135
ILE A 144
ALA A  82
THR A  84
VAL A  78
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
PHE A 135
ILE A 144
ALA A  82
THR A  84
VAL A  78
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
PHE B 135
ILE B 144
ALA B  82
THR B  84
VAL B  78
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL A  67
ILE A 144
PHE A 123
ALA A  82
VAL A 128
1.65A21.06
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL A  67
ILE A  86
THR A  99
ILE A  80
VAL A  78
1.77A21.06
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
6 / 11
ILE B  80
ILE B 100
ALA B 138
ALA B 118
THR B 115
ILE B 116
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
4 / 8
ILE B 144
ALA B  81
THR B  84
VAL B  70
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 11
ILE A 307
ILE A 236
PHE A 214
LEU A 300
VAL A 339
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
VAL B  67
ILE B 144
PHE B 123
ALA B  82
VAL B 128
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
VAL B  67
ILE B  86
ALA B  82
VAL B 142
VAL B  78
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL B  10
ALA B  55
ILE B  27
VAL B  32
VAL B  25
1.40A21.31
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 11
ILE A 144
LEU A  73
ALA A  81
ALA A  82
VAL A 128
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
PHE A 342
ILE A 306
PHE A 303
ILE A 328
VAL A 321
1.58A21.06
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
VAL A  67
ILE A  86
ALA A  82
VAL A 142
VAL A  78
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
VAL A  67
ILE A 144
PHE A 123
ALA A  82
VAL A 128
1.65A21.06
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
PHE B 342
ILE B 306
PHE B 303
ILE B 328
VAL B 321
1.60A21.06
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL B  67
ILE B  86
THR B  99
ILE B  80
VAL B  78
1.79A21.06
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 9
VAL A  67
ILE A 144
PHE A 123
ALA A  82
VAL A 128
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 10
VAL A  10
ALA A  55
ILE A  27
VAL A  32
VAL A  25
1.42A21.31
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)
5 / 8
PHE B 135
ILE B 144
ALA B  82
THR B  84
VAL B  78
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.45A21.22
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.61A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ILE D  18
ALA D 124
VAL D 147
VAL D  16
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL B 121
PHE B   6
ALA B 154
VAL B  16
VAL B 147
1.76A15.69
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL C 121
PHE C   6
ALA C 154
VAL C  16
VAL C 147
1.80A15.69
None
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 11
PHE A 132
ALA A  39
ALA A  50
ILE A  23
VAL A  35
1.38A
APR  A 201 (-3.1A)
None
APR  A 201 (-3.4A)
APR  A 201 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 9
VAL B 121
PHE B   6
ALA B 154
VAL B  16
VAL B 147
1.79A15.69
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL D 121
PHE D   6
ALA D 154
VAL D  16
VAL D 147
1.78A15.69
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 9
VAL A6965
PHE A6985
ILE A6925
ALA A6960
VAL A6865
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
4 / 8
PHE A7043
ILE A6838
ALA A6832
VAL A6842
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)
5 / 10
VAL A6965
PHE A6985
ILE A6925
ALA A6960
VAL A6865
1.58A21.05
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 11
ALA B 181
ALA B 162
ILE B 185
VAL B 131
VAL B 186
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 11
ILE D 172
ALA D 181
ALA D 162
ILE D 185
VAL D 159
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 10
ILE D 185
ALA D 181
ILE D 172
VAL D 167
VAL D 159
1.77A14.38
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 11
ILE B 185
ALA B 162
ALA B 181
ILE B 172
VAL B 167
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 10
ILE D 156
THR D 141
ILE D 132
VAL D 130
VAL D 186
1.69A14.38
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wqd NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE D  92
ILE C  68
ALA C  65
VAL D 115
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wqd NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE B  92
ILE A  68
ALA A  65
VAL B 115
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 11
ALA D 181
ALA D 162
ILE D 185
VAL D 131
VAL D 186
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
6 / 11
ILE D 185
ALA D 162
ALA D 181
ILE D 172
VAL D 167
VAL D 159
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.78A14.38
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wqd NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE B 147
ILE B 120
ALA B 110
VAL A  53
1.26A
None
None
None
EDO  B 302 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wqd NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE D 147
ILE D 120
ALA D 110
VAL C  53
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqd NSP8
(SARS-CoV-2)
5 / 10
ILE B 156
THR B 141
ILE B 132
VAL B 130
VAL B 186
1.67A14.38
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.74A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.63A21.22
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.47A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 8
ILE A 249
PHE A 294
THR A 111
VAL A 202
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
5 / 10
ILE A 249
PHE A 294
THR A 111
ILE A 200
VAL A 202
1.80A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wrh PEPTIDASE C16
(SARS-CoV-2)
4 / 8
PHE A  79
PHE A 147
ILE A 151
ALA A 131
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6wrh PEPTIDASE C16
(SARS-CoV-2)
4 / 8
PHE A 127
PHE A 304
ILE A 123
PHE A 173
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ILE A 249
PHE A 294
THR A 111
VAL A 202
1.33A15.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.30A15.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.45A15.78
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.61A15.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ALA A  94
THR A  93
VAL A  36
VAL A  77
1.78A15.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ILE A  78
ALA A  94
VAL A  36
VAL A  77
1.53A15.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 11
PHE A 219
LEU A 271
ALA A 210
THR A 257
VAL A 261
1.59A15.78
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.51A15.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.29A15.78
None
None
DMS  A 403 (-3.8A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ILE A 249
THR A 201
VAL A 261
VAL A 247
1.68A15.78
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
PHE A 223
ALA A 266
THR A 225
VAL A 233
1.53A15.78
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 11
ALA D 181
ALA D 162
ILE D 185
VAL D 131
VAL D 186
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 10
ILE D 185
ALA D 181
ILE D 172
VAL D 167
VAL D 159
1.68A15.33
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 11
ALA B 181
ALA B 162
ILE B 185
VAL B 131
VAL B 186
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.69A15.33
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
4 / 8
PHE B  92
ILE A  68
ALA A  65
VAL B 115
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 10
ILE D 156
THR D 141
ILE D 132
VAL D 130
VAL D 186
1.73A15.33
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 10
ILE B 156
THR B 141
ILE B 132
VAL B 130
VAL B 186
1.73A15.33
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 11
ILE D 172
ALA D 181
ALA D 162
ILE D 185
VAL D 159
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
4 / 8
PHE B 147
ILE B 120
ALA B 110
VAL A  53
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
4 / 8
PHE D  92
ILE C  68
ALA C  65
VAL D 115
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
6 / 11
ILE D 185
ALA D 162
ALA D 181
ILE D 172
VAL D 167
VAL D 159
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
4 / 8
PHE D 147
ILE D 120
ALA D 110
VAL C  53
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 11
ILE D 132
ILE D 172
THR D 145
ILE D 156
VAL D 159
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
5 / 11
ILE B 172
ALA B 181
ALA B 162
ILE B 185
VAL B 159
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)
6 / 11
ILE B 185
ALA B 162
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 10
VAL A 395
PHE A 515
ILE A 358
VAL A 511
VAL A 341
1.51A16.81
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 11
ILE A 402
ILE A 418
ALA A 411
VAL A 510
VAL A 350
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
5 / 11
ILE H  34
ILE H  51
LEU H  81
THR L 100
ILE H 102
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE E 402
ALA E 419
VAL E 433
VAL E 510
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 11
ILE E 402
ILE E 418
ALA E 411
VAL E 510
VAL E 350
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE A 402
ALA A 419
VAL A 433
VAL A 510
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE E 418
ALA E 411
VAL E 510
VAL E 350
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
5 / 11
ILE B  34
ILE B  51
LEU B  81
THR C 100
ILE B 102
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL A 395
PHE A 515
ILE A 358
VAL A 511
VAL A 341
1.53A16.81
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL A 395
PHE A 515
ILE A 358
VAL A 511
VAL A 341
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE E 402
ALA E 419
VAL E 433
VAL E 510
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL E 395
PHE E 515
ILE E 358
VAL E 511
VAL E 341
1.49A16.81
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
VAL E 395
PHE E 515
ILE E 358
VAL E 511
VAL E 341
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 11
ILE E 402
ILE E 418
ALA E 411
VAL E 510
VAL E 350
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE E 418
ALA E 411
VAL E 510
VAL E 350
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 10
VAL E 395
PHE E 515
ILE E 358
VAL E 511
VAL E 341
1.46A16.81
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
PHE A 223
ALA A 266
THR A 225
VAL A 233
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.48A21.85
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 11
ILE A 402
ILE A 418
ALA A 411
VAL A 510
VAL A 350
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 11
ILE E 402
ILE E 418
ALA E 411
VAL E 510
VAL E 350
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE A 402
ALA A 419
VAL A 433
VAL A 510
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
5 / 11
ILE H  34
ILE H  51
LEU H  81
THR L 100
ILE H 102
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE E 418
ALA E 411
VAL E 510
VAL E 350
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE A 418
ALA A 411
VAL A 510
VAL A 350
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)
4 / 8
ILE E 402
ALA E 419
VAL E 433
VAL E 510
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)
4 / 8
PHE A 456
ALA H  88
THR H  91
VAL H  11
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
5 / 11
ILE B  34
ILE B  51
LEU B  81
THR C 100
ILE B 102
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.66A21.85
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.63A21.85
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.30A
None
None
None
None
PEG  A 405 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 8
ILE A 249
PHE A 294
THR A 111
VAL A 202
1.27A
None
None
CL  A 406 ( 3.6A)
PEG  A 405 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.43A21.85
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
5 / 11
PHE D 132
ALA D  39
ALA D  50
ILE D  23
VAL D  35
1.46A
EDO  D 205 ( 3.6A)
None
EDO  D 206 (-3.6A)
EDO  D 208 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
5 / 11
PHE B 132
ALA B  39
ALA B  50
ILE B  23
VAL B  35
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
5 / 11
PHE C 132
ALA C  39
ALA C  50
ILE C  23
VAL C  35
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
ILE A  18
ALA A 124
VAL A 147
VAL A  16
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
ILE D  18
ALA D 124
VAL D 147
VAL D  16
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
PHE C 132
ALA C 112
VAL C  36
VAL C  49
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
PHE B 132
ALA B 112
VAL B  36
VAL B  49
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
PHE C   6
ALA C 154
VAL C  36
VAL C  34
1.43A
None
None
None
EDO  C 207 (-4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
ILE D  18
ALA D 124
VAL D 147
VAL D  16
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
ILE C  18
ALA C 124
VAL C 147
VAL C  16
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)
5 / 11
PHE B 132
ALA B  39
ALA B  50
ILE B  23
VAL B  35
1.45A
None
None
None
EDO  B 202 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)
5 / 11
LEU C 109
ALA C 129
ILE C  23
VAL C  49
VAL C  36
1.48A
None
None
EDO  C 206 (-4.1A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)
4 / 8
ILE A  18
ALA A 124
VAL A 147
VAL A  16
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.46A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
5 / 9
VAL A 212
PHE A 219
ILE A 259
ALA A 266
THR A 224
1.64A21.22
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 8
ILE A 249
PHE A 294
THR A 111
VAL A 202
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bqy MAIN PROTEASE
(SARS-CoV-2)
5 / 10
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.69A21.22
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 9
VAL A 359
PHE A 340
ILE A 333
ALA A 379
VAL A 373
1.62A18.93
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 11
ALA B 181
ALA B 162
ILE B 185
VAL B 131
VAL B 186
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ALA B 181
ALA B 162
VAL B 131
VAL B 186
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
6 / 11
ILE B 185
ALA B 162
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ALA A 690
ALA A 634
ILE A 696
VAL A 587
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 10
ILE D 156
THR D 141
ILE D 132
VAL D 130
VAL D 186
1.58A18.00
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 9
VAL A 359
PHE A 340
ILE A 333
ALA A 379
VAL A 373
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 9
VAL A 476
PHE A 480
PHE A 694
ALA A 690
THR A 680
1.79A18.93
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.73A18.00
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 11
ILE B 172
ALA B 181
ALA B 162
ILE B 185
VAL B 159
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 11
ALA D 181
ALA D 162
ILE D 185
VAL D 131
VAL D 186
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 10
VAL A 742
THR A 586
ILE A 696
VAL A 476
VAL A 700
1.60A18.93
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 11
ILE D 132
ALA D 181
ALA D 162
VAL D 131
VAL D 186
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 11
ILE A 539
ALA A 382
ALA A 399
VAL A 675
VAL A 667
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 10
PHE B 147
THR B 141
ILE B 132
VAL B 131
VAL B 186
1.77A18.00
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
NSP8
(SARS-CoV-2)
5 / 11
ILE A 539
LEU B 117
ALA A 399
ALA A 400
THR A 402
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7btf NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE D 147
ILE D 120
ALA D 110
VAL C  53
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7btf NSP12
NSP8
(SARS-CoV-2)
5 / 10
ILE B 119
ALA B 102
ILE B 107
VAL A 341
VAL B 115
1.60A18.00
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
4 / 8
PHE A 287
ALA A 250
THR A 248
VAL A 128
1.04A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
NSP8
(SARS-CoV-2)
5 / 11
ALA A 382
ALA A 383
THR B 124
ILE B 106
VAL B 115
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP8
(SARS-CoV-2)
5 / 11
ILE D 156
ILE D 172
THR D 141
ILE D 132
VAL D 186
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 634
ALA A 690
ILE A 579
VAL A 587
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 690
ALA A 688
ILE A 579
VAL A 587
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 10
VAL A 359
PHE A 340
ILE A 333
ALA A 379
VAL A 373
1.63A18.93
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
4 / 8
PHE A 859
PHE A 422
ALA A 423
VAL A 880
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 9
VAL A 587
ILE A 696
ALA A 690
VAL A 637
VAL A 476
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7btf NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ILE A 589
ALA A 690
ILE A 696
VAL A 587
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.47A21.22
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
5 / 11
ILE A 136
ILE A 106
PHE A   8
THR A 292
ILE A 200
1.42A
None
None
DMS  A 406 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
5 / 10
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.69A21.22
None
None
None
None
DMS  A 403 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
5 / 9
VAL A  73
ALA A  94
THR A  98
VAL A  36
VAL A  18
1.67A
None
None
None
None
DMS  A 403 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 8
PHE A 219
ILE A 259
ALA A 210
VAL A 261
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 634
ALA A 690
ILE A 579
VAL A 587
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ILE A 589
ALA A 690
ILE A 696
VAL A 587
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
NSP8
(SARS-CoV-2)
6 / 11
ILE B 166
PHE A 407
ALA B 162
ALA B 181
ILE B 172
VAL B 167
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
NSP8
(SARS-CoV-2)
5 / 10
ALA B 102
THR B 124
ILE B 120
VAL B 115
VAL A 341
1.77A17.36
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
5 / 10
VAL A 742
THR A 586
ILE A 696
VAL A 476
VAL A 700
1.67A18.92
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ILE B 185
ILE B 172
LEU B 180
VAL B 130
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
4 / 8
PHE A 287
ALA A 250
THR A 248
VAL A 128
1.08A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ALA B 181
ALA B 162
VAL B 131
VAL B 186
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
4 / 8
ILE A 539
ALA A 399
VAL A 675
VAL A 667
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
5 / 10
PHE A 480
ILE A 696
ALA A 690
ILE A 589
VAL A 587
1.67A18.92
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
NSP8
(SARS-CoV-2)
5 / 10
VAL A 341
ALA B 102
THR B 123
ILE B 119
VAL B 115
1.55A18.92
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
NSP8
(SARS-CoV-2)
5 / 11
ILE A 539
LEU B 117
ALA A 399
ALA A 400
THR A 402
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv1 NSP7
NSP8
(SARS-CoV-2)
4 / 8
PHE D 147
ILE D 120
ALA D 110
VAL C  53
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP8
(SARS-CoV-2)
5 / 10
PHE B 147
THR B 141
ILE B 132
VAL B 131
VAL B 186
1.78A17.36
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
4 / 8
ALA A 685
THR A 687
VAL A 560
VAL A 662
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP8
(SARS-CoV-2)
5 / 10
ILE D 156
THR D 141
ILE D 132
VAL D 130
VAL D 186
1.54A17.36
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
NSP8
(SARS-CoV-2)
5 / 10
ILE B 119
ALA A 383
ILE B 107
VAL A 330
VAL B 115
1.73A17.36
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
NSP8
(SARS-CoV-2)
5 / 11
ALA A 382
ALA A 383
THR B 124
ILE B 106
VAL B 115
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP8
(SARS-CoV-2)
5 / 11
ILE D 132
ALA D 181
ALA D 162
VAL D 131
VAL D 186
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ALA A 690
ALA A 634
ILE A 696
VAL A 587
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
4 / 8
PHE A 859
PHE A 422
ALA A 423
VAL A 880
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv1 NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 690
ALA A 688
ILE A 579
VAL A 587
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv1 NSP8
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.73A17.36
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 9
VAL A 476
PHE A 480
PHE A 694
ALA A 690
THR A 680
1.77A
None
None
None
None
F86  P 102 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv2 NSP8
(SARS-CoV-2)
5 / 10
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.71A17.36
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 690
ALA A 688
ILE A 579
VAL A 587
1.50A
None
None
F86  P 102 ( 4.1A)
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
4 / 8
PHE A 287
ALA A 250
THR A 248
VAL A 128
1.09A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv2 NSP8
(SARS-CoV-2)
5 / 11
ILE B 132
ALA B 181
ALA B 162
VAL B 131
VAL B 186
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 10
PHE A 480
ILE A 696
ALA A 690
ILE A 589
VAL A 587
1.74A18.92
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 11
ILE A 696
ALA A 634
ALA A 690
ILE A 579
VAL A 587
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
NSP8
(SARS-CoV-2)
5 / 10
ILE B 119
ALA B 102
ILE B 107
VAL A 341
VAL B 115
1.63A17.36
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 10
VAL A 742
THR A 586
ILE A 696
VAL A 476
VAL A 700
1.64A18.92
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
7bv2 NSP8
(SARS-CoV-2)
5 / 10
PHE B 147
THR B 141
ILE B 132
VAL B 131
VAL B 186
1.73A17.36
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
NSP8
(SARS-CoV-2)
5 / 11
ALA A 382
ALA A 383
THR B 124
ILE B 106
VAL B 115
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ILE A 589
ALA A 690
ILE A 696
VAL A 587
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
4 / 8
PHE A 859
PHE A 422
ALA A 423
VAL A 880
1.24A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
5 / 11
ILE A 579
ALA A 690
ALA A 634
ILE A 696
VAL A 587
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
7bv2 NSP12
(SARS-CoV-2)
4 / 8
PHE A 753
ILE A 757
VAL A 605
VAL A 588
1.36A
None