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' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh 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)		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)		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.
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.
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.
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.
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 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.
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 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 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 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.
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.
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.
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.
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