Ligand ID: MTK


Drugbank ID:
DB00471
(Montelukast)


Indication:
For the treatment of asthma

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

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

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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE E 916
ILE E 913
ILE F 916
ASN D 910
ALA E 906
1.47A14.48
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE C  16
ILE C  13
ILE E  16
ASN A  10
ALA C   6
1.55A8.37
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
SER B   9
ALA G  91
THR G  89
VAL B  16
VAL C  21
1.36A12.16
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ajf ACE2
(Homo
sapiens)		5 / 12
SER B  43
SER B  44
ASN B 330
THR B 324
ALA B 348
1.42A20.29
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
SER K  15
SER H  15
ALA B   9
THR B  39
VAL B  13
1.45A14.98
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
SER D 163
ASN C 437
ASN D 164
ALA C 339
VAL C 389
1.51A17.06
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2gri NSP3
(SARSr)		5 / 12
SER A 106
ASN A  98
VAL A  51
VAL A  58
VAL A  45
1.33A13.92
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2gri NSP3
(SARSr)		5 / 12
ASN A  98
VAL A  51
THR A  49
VAL A  58
VAL A  45
1.29A13.92
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
SER A 650
THR A 612
VAL A 589
ALA A 590
THR A 594
1.41A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
SER A 651
THR A 612
VAL A 589
ALA A 590
THR A 594
1.41A15.43
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
SER A 293
SER A 241
ASN A 277
ALA C 325
THR C 321
1.50A23.53
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
SER B 147
SER B 144
ASN B  28
VAL D   4
ALA D   3
1.48A20.71
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
SER D   1
SER B   1
VAL D  24
VAL B  24
VAL D  51
1.49A23.48
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2w2g NSP3
(SARSr)		5 / 12
SER A 652
THR A 612
VAL A 589
ALA A 590
THR A 594
1.36A20.09
None
None
None
None
SO4  A1653 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		2wct NSP3
(SARSr-CoV)		5 / 12
SER D 652
THR D 612
VAL D 589
ALA D 590
THR D 594
1.28A20.09
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3aw0 3C-LIKE PROTEINASE
PEPTIDE
ACE-SER-ALA-VAL-LEU-
HIS-H
(SARSr-CoV)		5 / 12
SER A 147
SER A 144
ASN A  28
VAL B   4
ALA B   3
1.53A21.43
None
HSV  B   6 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
SER C 131
ALA B 118
THR B 206
VAL B 144
VAL B 208
1.50A19.18
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER B  43
SER B  44
ASN B 330
THR B 324
ALA B 348
1.43A20.58
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		3i6g BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 8
ILE E   7
ILE E  35
ASN E  24
VAL E   9
ALA E  79
1.52A14.22
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
SER B 254
ASN D 221
THR B 243
ALA D 206
VAL D 212
1.26A20.71
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
SER B  43
SER B  44
ASN B 330
THR B 324
ALA B 348
1.49A20.79
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ILE A 259
ILE A 249
ASN A 231
ALA A 266
1.54A17.05
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.56A17.05
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
SER A 151
ASN A 166
THR A 206
ALA A 182
VAL A 286
1.44A20.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 8
ILE A 116
ILE A  87
ARG A  99
ILE A 219
ASN A 118
ALA A 233
1.63A20.66
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
SER C 151
ASN C 166
THR C 206
ALA C 182
VAL C 286
1.54A16.45
None
NAG  C1408 (-3.1A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 8
ILE A1063
ILE A 694
ILE A1097
ASN B 896
ALA B 881
1.45A16.82
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
SER B 712
THR B 760
ASN B 937
VAL B1042
ALA B1037
1.43A16.82
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5x5f S PROTEIN
(MERS-CoV)		5 / 8
ILE C 433
ILE C 442
ILE C 428
ASN C 582
VAL C 584
1.42A16.45
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE C 234
ILE C  87
ASN C  96
VAL C  98
ALA C 250
1.29A17.46
ILE  C 234 ( 0.7A)
ILE  C  87 ( 0.6A)
ASN  C  96 ( 0.6A)
VAL  C  98 ( 0.6A)
ALA  C 250 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE A 916
ILE A 913
ILE C 916
ASN B 910
ALA A 906
1.54A11.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A1093
ASN B1107
ASN A 901
VAL B1104
THR B1102
1.43A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE B 637
ILE B 652
ASN B 602
VAL B 601
ALA B 633
1.26A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER A 248
THR A  71
ASN A  96
ALA A 139
THR A 148
1.53A17.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
ILE B 800
ILE B 787
ILE B 916
VAL B 860
ALA B 864
1.34A17.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER A 248
SER A  95
ASN A  78
ASN A  73
ALA A  91
1.42A16.83
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6cs2 ACE2
(Homo
sapiens)		5 / 12
SER D  43
SER D  44
ASN D 330
THR D 324
ALA D 348
1.52A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
ILE A 800
ILE A 787
ILE A 916
VAL A 860
ALA A 864
1.32A16.83
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
SER A  77
THR A  73
THR C   3
VAL A 152
ALA A 150
1.40A19.54
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6jyt HELICASE
(SARSr-CoV)		5 / 12
SER A 555
ALA A 564
THR A 566
VAL A 558
VAL A 452
1.44A22.00
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6jyt HELICASE
(SARSr-CoV)		5 / 8
ILE A 512
ILE A 545
ARG A 595
ILE A 565
VAL A 496
1.49A22.00
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.60A21.24
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6m0j ACE2
(Homo
sapiens)		5 / 12
SER A 124
SER A 128
THR A 129
ASN A 508
VAL A 343
1.42A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.60A21.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 8
ILE C 319
ARG C  57
ILE C 251
VAL C  55
ALA C 399
1.53A21.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m1d ACE2
(Homo
sapiens)		5 / 8
ILE D 704
ILE D 622
ARG D 671
ILE D 727
VAL D 670
1.53A19.42
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
SER D 267
VAL D 212
ALA D 211
VAL D 204
VAL D 296
1.47A21.33
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ILE B 185
ILE B 166
VAL A 405
ALA A 400
1.03A16.82
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ILE A 856
ILE A 888
ASN A 911
ALA A 866
1.28A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ILE A 696
ARG A 640
VAL A 476
ALA A 634
1.32A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ILE A 562
ILE A 536
ASN A 507
ALA A 375
1.19A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ILE A 696
ARG A 640
ILE A 589
VAL A 476
1.21A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A 712
THR A 760
ASN A 937
VAL A1042
ALA A1037
1.52A16.75
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ILE A 800
ILE A 787
ILE A 916
VAL A 860
ALA A 864
1.35A16.75
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER L 136
THR L 169
VAL H 195
ALA H 151
VAL H 225
1.45A19.79
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR C 299
ASN C 606
VAL C 608
ALA C 609
VAL C 687
1.35A17.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 139
ASN B  37
VAL B  95
ALA B 112
VAL B 147
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ASN A  37
VAL A  95
ALA A 112
VAL A 147
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
THR A  13
ALA A 154
VAL A  49
VAL A  35
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 8
ILE A1081
ILE A 712
ILE A1115
ASN B 914
ALA B 899
1.52A16.86
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 8
ILE B1081
ILE B 712
ILE B1115
ASN C 914
ALA C 899
1.49A16.86
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w02 NSP3
(SARS-CoV-2)		6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
1.78A16.24
None
APR  B 201 (-4.4A)
APR  B 201 (-3.6A)
APR  B 201 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER H 179
SER L 176
THR L 206
VAL L 146
ALA L 144
1.79A14.50
GOL  L 301 (-3.5A)
GOL  L 301 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER L 131
SER L 121
VAL H 211
VAL H 121
VAL H 152
1.75A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ILE L  28
ASN C 394
VAL C 395
ALA C 397
1.65A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ILE C 358
ASN C 360
VAL C 524
ALA C 363
1.67A13.18
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  51
ILE H  69
ARG H  38
ILE H  34
1.61A14.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER L 174
THR L 164
THR L 178
VAL H 181
VAL H 184
1.78A15.69
None
None
GOL  L 301 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 172
SER L 174
ALA L 144
THR L 197
VAL L 205
1.58A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER H 179
THR L 129
VAL H 152
VAL H 207
1.77A15.69
GOL  L 301 (-3.6A)
GOL  L 301 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER H 177
SER H 179
SER L 176
ALA H 137
VAL H 211
1.53A14.50
GOL  L 301 (-3.1A)
GOL  L 301 (-3.5A)
GOL  L 301 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER L 162
SER L 176
SER H 179
ALA H 137
THR H 135
1.74A15.69
GOL  L 301 (-3.2A)
GOL  L 301 (-3.1A)
GOL  L 301 (-3.5A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
SER H 128
SER L 215
VAL L 191
ALA L 193
VAL L 132
1.53A14.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  69
ILE H  20
ILE H  51
ALA H  88
1.67A14.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  51
ILE H  34
ILE H  20
ASN H  76
1.34A14.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ILE C 418
ILE C 410
ARG C 509
VAL C 510
1.68A13.18
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ILE C 410
ILE C 434
ILE C 402
ASN C 354
1.49A13.18
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 172
SER L 174
ALA L 144
THR L 197
VAL L 115
1.62A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A6967
ILE A7005
ALA A7002
1.53A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
VAL A6916
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ARG A6864
ILE A6967
VAL A6865
ALA A6905
1.67A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6926
ILE A7005
ILE A6955
1.69A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6926
ILE A7005
ILE A6951
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6951
ILE A6955
ILE A7005
ARG A6864
1.66A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A7088
ILE A6951
ALA A6919
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6951
ILE A6955
ILE A7005
ARG A7081
1.63A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ILE A6925
ILE A6967
ILE A7005
ASN A6975
ALA A7002
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
ALA A6905
0.93A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
ILE A6838
ASN B4293
VAL A6876
ALA B4324
1.44A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A7079
ASN A7084
VAL A7086
1.56A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7005
ILE A6925
ARG A7014
ILE A6969
1.63A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6967
ASN A6975
ALA A6990
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ILE A6967
ILE A6926
ARG A6864
ILE A6951
VAL A6865
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ILE A6926
ILE A6951
ARG A7081
ILE A7005
VAL A6865
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7079
ILE A6925
ILE A7080
ASN A7084
1.51A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7088
ARG A7081
VAL A7086
ALA A6919
1.56A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
SER A6872
ALA A6843
THR A6846
VAL B4295
VAL A6882
1.65A
SAM  A7104 (-4.4A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A7017
ILE A6967
ASN A7008
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A7005
ILE A6951
VAL A6865
1.60A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7065
ILE A7080
ASN A7008
ALA A7056
1.68A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
VAL A6894
1.62A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7079
ILE A6925
ARG A7085
ILE A7080
1.42A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7088
ILE A6925
ASN A7083
ALA A6960
1.57A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
ALA A6905
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6838
ASN A6841
VAL A6842
ALA A6881
1.53A15.40
None
SAM  A7104 (-3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6967
ILE A6951
ILE A6969
ALA A6914
1.45A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  23
ASN B  37
VAL B  49
ALA B 129
1.63A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ASN A  37
VAL A  95
ALA A 112
VAL A 147
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ASN A  15
VAL A 151
ALA A 124
VAL A  95
1.74A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER A 128
ASN A  37
VAL A  95
VAL A 142
VAL A 151
1.73A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B 137
ASN B 101
VAL B 100
ALA B 129
1.68A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE A  23
ASN A  37
VAL A  35
ALA A  89
1.68A16.91
AMP  A 201 ( 4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
1.74A
None
MES  B 201 ( 4.5A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  18
ASN B  37
VAL B  36
ALA B 154
1.67A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
1.77A
None
None
AMP  A 201 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE A  23
ASN A  37
VAL A  49
ALA A 129
1.61A16.91
AMP  A 201 ( 4.0A)
None
AMP  A 201 ( 3.7A)
AMP  A 201 ( 3.4A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  23
ILE B  18
ASN B  37
VAL B  49
1.59A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE A  23
ILE A  18
ASN A  37
VAL A  49
1.59A16.91
AMP  A 201 ( 4.0A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  23
ASN B  37
VAL B  35
ALA B  89
1.67A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER B 139
ASN B  37
VAL B  95
ALA B 112
VAL B 147
1.67A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 12
THR B 146
THR B  13
VAL B 151
VAL B  95
VAL B  34
1.74A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER B 128
ASN B  37
VAL B  95
VAL B 142
VAL B 151
1.70A16.91
MES  B 201 ( 4.5A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7079
ILE A6925
ARG A7085
ILE A7080
1.59A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6951
ALA C6905
1.28A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ARG A6864
ILE A6967
VAL A6865
ALA A6905
1.56A15.85
FMT  A7106 ( 2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
SER A6872
ALA A6843
THR A6846
VAL B4295
VAL A6882
1.63A15.85
SAM  A7102 ( 4.6A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6926
ILE C6951
ARG C7081
ILE C7005
1.67A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7088
ILE C6925
ASN C7083
ALA C6960
1.37A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6967
ALA C6905
0.89A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7065
ILE A7080
ASN A7008
ALA A7056
1.62A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7079
ILE C6925
ASN C7084
VAL C7086
1.56A15.85
None
None
FMT  C7106 ( 4.2A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
ALA A6905
1.20A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6967
VAL C6916
1.26A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6967
ARG C6864
ILE C6951
VAL C6865
1.54A15.85
None
FMT  C7106 ( 2.7A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7088
ILE A6925
ASN A7083
ALA A6960
1.32A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
VAL A6916
1.27A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 8
ILE A6925
ILE A6967
ILE A7005
ASN A6975
ALA A7002
1.68A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6955
ILE C6967
ILE C7005
ALA C7002
1.56A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		5 / 8
ILE C6925
ILE C6967
ILE C7005
ASN C6975
ALA C7002
1.69A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7088
ASN A7095
VAL A7094
ALA C6905
1.42A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6951
ILE C6955
ILE C7005
ARG C6864
1.66A15.85
None
None
None
FMT  C7106 ( 2.7A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6955
ILE C7017
ILE C6967
ASN C7008
1.20A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ARG C6864
ILE C6967
VAL C6865
ALA C6905
1.59A15.85
FMT  C7106 ( 2.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7065
ILE C7080
ASN C7008
ALA C7056
1.63A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6967
ASN A6975
ALA A6990
1.39A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7079
ILE A6955
ILE A7080
ASN A6920
1.55A15.85
None
None
None
FMT  A7106 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6926
ILE C6951
VAL C6865
ALA C6905
1.51A15.85
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
SER C6872
ALA C6843
THR C6846
VAL D4295
VAL C6882
1.66A15.85
SAM  C7105 ( 4.4A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C7079
ASN C7084
VAL C7086
1.42A15.85
None
None
FMT  C7106 ( 4.2A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
ALA A6905
0.90A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
VAL A6894
1.64A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6926
ILE C6951
ILE C7005
VAL C6865
1.38A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6838
ASN C6841
VAL C6842
ALA C6881
1.48A15.85
None
SAM  C7105 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7065
ASN C7083
VAL C7057
ALA C6960
1.65A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7079
ILE C6955
ILE C7080
ASN C6920
1.58A15.85
None
None
None
FMT  C7106 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C7088
ILE C6951
ALA C6919
1.46A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6967
ILE A6926
ILE A6951
VAL A6865
1.45A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6955
ARG A7014
ILE A6926
1.62A15.85
None
None
FMT  A7111 ( 2.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6955
ASN C6920
1.34A15.85
None
None
None
FMT  C7106 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A7088
ILE A6951
ALA A6919
1.37A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6967
ASN C6975
ALA C6990
1.37A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C7079
ILE C6925
ILE C7080
ASN C7084
1.52A15.85
None
None
None
FMT  C7106 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6926
ILE A6951
VAL A6865
ALA A6905
1.53A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6967
ARG A6864
ILE A6951
VAL A6865
1.59A15.85
None
FMT  A7106 ( 2.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6838
ASN A6841
VAL A6842
ALA A6881
1.46A15.85
None
SAM  A7102 ( 3.4A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6967
ILE A6951
ILE A6969
ALA A6914
1.46A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A7017
ILE A6967
ASN A7008
1.19A15.85
None
FMT  A7111 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6926
ILE A6951
ILE A7005
VAL A6865
1.29A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7079
ILE A6925
ILE A7080
ASN A7084
1.51A15.85
None
None
None
FMT  A7106 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7079
ILE A6925
ASN A7084
VAL A7086
1.59A15.85
None
None
FMT  A7106 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7088
ASN C7095
VAL C7094
ALA A6905
1.40A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6967
ILE C6926
ILE C6951
VAL C6865
1.42A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6926
ILE A7005
ILE A6951
1.30A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A6967
ILE A7005
ALA A7002
1.55A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6926
ILE C7005
ILE C6951
1.40A15.85
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6955
ASN A6920
1.35A15.85
None
None
None
FMT  A7106 ( 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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6955
ARG A6864
ILE A6951
ALA A6858
1.58A15.85
None
FMT  A7106 ( 2.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A7079
ASN A7084
VAL A7086
1.43A15.85
None
None
FMT  A7106 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ILE B4291
ILE B4352
ASN B4293
ALA D4271
1.60A13.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6926
ILE A6951
ARG A7081
ILE A7005
1.69A15.85
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wcf NSP3
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
1.71A
None
MES  A 201 (-4.4A)
None
MES  A 201 ( 3.0A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wen NSP3
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wey NSP3
(SARS-CoV-2)		6 / 12
SER A 343
SER A 332
VAL A 253
ALA A 254
VAL A 299
VAL A 239
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 12
SER A  57
THR A  46
ALA B 150
THR B 148
VAL B 130
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 12
THR B  84
VAL A  66
ALA A  65
VAL A  22
VAL A  58
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6967
VAL C6916
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6967
ALA C6905
0.88A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
ALA A6905
0.91A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
SER A6872
ALA A6843
THR A6846
VAL B4295
VAL A6882
1.66A
SAH  A7102 ( 4.6A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A7017
ILE A6967
ASN A7008
1.21A
None
FMT  A7105 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C6955
ILE C7017
ILE C6967
ASN C7008
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6951
ALA C6905
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6926
ILE A6951
ILE A7005
VAL A6865
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6926
ILE A7005
ILE A6951
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6955
ASN C6920
1.31A
None
None
None
FMT  C7103 (-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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C7088
ASN A7095
VAL A7094
ALA C6905
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ILE C6925
ILE C6967
ILE C7005
ASN C6975
ALA C7002
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ILE A6925
ILE A6967
ILE A7005
ASN A6975
ALA A7002
1.71A
None
None
None
FMT  A7108 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
VAL A6916
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A7088
ILE A6951
ALA A6919
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6955
ASN A6920
1.33A
None
None
None
FMT  A7106 (-3.8A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
ALA A6905
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE D 146
ARG D  68
ILE D  74
VAL D 133
1.35A
MES  D 201 ( 4.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE B 131
ILE B 130
VAL B  72
ALA B 138
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE C 131
ILE C 130
VAL C  72
ALA C 138
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE A 131
ILE A 130
VAL A  72
ALA A 138
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE D 131
ILE D 130
VAL D  72
ALA D 138
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6926
ILE A6951
ILE A7005
VAL A6865
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6926
ILE A7005
ILE A6951
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		5 / 8
ILE A6925
ILE A6967
ILE A7005
ASN A6975
ALA A7002
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A7017
ILE A6967
ASN A7008
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6955
ILE C7017
ILE C6967
ASN C7008
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C7088
ASN A7095
VAL A7094
ALA C6905
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 12
SER A6872
ALA A6843
THR A6846
VAL B4295
VAL A6882
1.64A
SFG  A7103 ( 4.5A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6951
ALA C6905
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6967
ALA C6905
0.89A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
ALA A6905
0.90A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6955
ASN A6920
1.31A
None
None
None
FMT  A7109 ( 3.9A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
ALA A6905
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6926
ILE C6951
ILE C7005
VAL C6865
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
VAL A6916
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A7088
ILE A6951
ALA A6919
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6967
VAL C6916
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		5 / 8
ILE C6925
ILE C6967
ILE C7005
ASN C6975
ALA C7002
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
ILE C6866
ILE C6955
ASN C6920
1.32A
None
None
None
FMT  C7106 ( 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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
ASN A  53
VAL A  32
THR A  34
VAL A  10
VAL A  23
1.65A
EDO  A 403 (-4.5A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 307
ILE A 236
ILE A 253
ILE A 306
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 307
ILE B 306
ILE B 328
ILE B 236
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 100
ILE A  80
ASN A  63
ALA A  60
1.23A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 116
ILE B  97
ASN B 140
VAL B 122
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 108
ILE A  80
ASN A 140
VAL A 122
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 307
ILE A 306
ILE A 328
ILE A 236
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B  97
ILE B 116
ASN B  83
VAL B 102
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
SER B  98
THR A  49
VAL B  54
ALA B  55
VAL B  85
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 100
ILE A  80
ILE A  97
ASN A 140
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 100
ILE B  80
ASN B  63
ALA B  60
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 100
ILE A  86
ILE A 108
ASN A 140
1.23A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE A 116
ILE A  97
ASN A 140
VAL A 122
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B  97
ILE B  80
ILE B  86
ASN B 140
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
SER A  98
THR B  49
VAL A  54
ALA A  55
VAL A  85
1.62A
None
None
EDO  A 403 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 100
ILE B  86
ILE B 108
ASN B 140
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B  28
ILE B  27
ASN B  46
VAL B  52
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 328
ILE B 296
ILE B 236
ARG B 207
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 307
ILE B 236
ILE B 253
ILE B 306
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 100
ILE B  80
ILE B  97
ASN B 140
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN A 159
VAL D  95
ALA D  38
VAL D  35
VAL D 151
1.67A
None
None
APR  D 201 (-3.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
1.77A
None
APR  B 201 (-4.5A)
APR  B 201 (-3.7A)
APR  B 201 (-3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ILE B 106
ILE A 131
VAL A  41
ALA A  39
1.19A
None
APR  A 201 (-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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
SER D 139
SER D 128
VAL D  49
ALA D  50
VAL D  95
VAL D  35
1.76A
None
APR  D 201 (-4.3A)
APR  D 201 (-3.6A)
APR  D 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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN B 150
ASN C 159
THR B  13
ALA B 154
VAL B  30
1.63A
None
None
None
APR  B 201 (-4.6A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER C 139
ASN C  37
VAL C  95
ALA C 112
VAL C 147
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASN D 150
ASN A 159
THR D  13
ALA D 154
VAL D  30
1.60A
None
None
None
APR  D 201 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 139
ASN B  37
VAL B  95
ALA B 112
VAL B 147
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
1.78A
None
APR  A 201 (-4.4A)
APR  A 201 (-3.8A)
APR  A 201 (-3.4A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
SER C 139
SER C 128
VAL C  49
ALA C  50
VAL C  95
VAL C  35
1.78A
None
APR  C 201 (-4.4A)
APR  C 201 (-3.8A)
APR  C 201 (-3.5A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER D 139
ASN D  37
VAL D  95
ALA D 112
VAL D 147
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
ALA A6905
0.91A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6926
ILE A6951
ILE A7005
VAL A6865
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6967
VAL A6916
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6951
ALA A6905
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6955
ILE A7017
ILE A6967
ASN A7008
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
SER A6872
ALA A6843
THR A6846
VAL B4295
VAL A6882
1.63A
SO4  A7109 (-4.5A)
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6866
ILE A6955
ASN A6920
1.29A
None
None
None
SO4  A7106 (-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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ILE A6925
ILE A6967
ILE A7005
ASN A6975
ALA A7002
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6967
ASN A6975
ALA A6990
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
ILE A6926
ILE A7005
ILE A6951
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
SER A  57
THR A  46
ALA B 150
THR B 148
VAL B 130
1.66A
None
None
EDO  B 302 (-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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
SER C   4
ALA B  86
THR B  84
VAL C  11
VAL A  16
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 267
VAL B 212
ALA B 211
VAL B 204
VAL B 296
1.54A21.33
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ILE A 259
ILE A 249
ASN A 231
ALA A 266
1.55A17.26
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.57A17.26
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ASN C  69
ASN D 108
VAL C  66
ALA C  65
VAL D 115
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
SER A  57
THR A  46
ALA B 150
THR B 148
VAL B 130
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
SER C  57
THR C  46
ALA D 150
THR D 148
VAL D 130
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 8
ILE A  91
ILE A  90
ASN A  35
VAL A  32
ALA A  98
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 211
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER B 181
SER B 183
SER C 182
ALA B 141
VAL B 215
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 121
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 121
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 211
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER H 181
SER H 183
SER L 182
ALA H 141
VAL H 215
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 169
SER H 184
ASN H 201
ALA H 141
VAL H 215
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ILE H 102
ILE H  30
ILE H  50
ALA E 435
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER H 181
SER H 183
SER L 182
ALA H 141
VAL H 215
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 121
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 211
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
SER B 181
SER B 183
SER C 182
ALA B 141
VAL B 215
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 121
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
SER H 181
SER H 183
SER L 182
ALA H 141
VAL H 215
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR L 178
SER L 180
ALA L 150
THR L 203
VAL L 211
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 121
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
THR C 178
SER C 180
ALA C 150
THR C 203
VAL C 211
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
THR A  13
ALA A 154
VAL A  49
VAL A  35
1.66A
EDO  A 202 (-4.3A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER E 139
ASN E  37
VAL E  95
ALA E 112
VAL E 147
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B 128
THR B  13
ALA B 154
VAL B  49
VAL B  35
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 139
SER D 128
VAL D  49
ALA D  50
VAL D  95
VAL D  35
1.75A
None
None
EDO  D 209 (-4.6A)
EDO  D 206 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 139
ASN A  37
VAL A  95
ALA A 112
VAL A 147
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 139
ASN C  37
VAL C  95
ALA C 112
VAL C 147
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 139
SER C 128
VAL C  49
ALA C  50
VAL C  95
VAL C  35
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 139
SER E 128
VAL E  49
ALA E  50
VAL E  95
VAL E  35
1.77A
None
EPE  E 202 (-4.6A)
None
EPE  E 202 (-3.1A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 111
THR D 146
ASN D  15
VAL D 151
ALA D 124
1.66A
EDO  D 202 (-3.6A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
THR C  13
ALA C 154
VAL C  49
VAL C  35
1.66A
None
EDO  C 205 ( 4.3A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
1.77A
None
EDO  A 202 (-4.3A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
ASN C  37
VAL C  95
VAL C 142
VAL C 151
1.65A
APR  C 201 (-4.4A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER E 139
ASN E  37
VAL E  95
ALA E 112
VAL E 147
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER E 128
ASN E  37
VAL E  95
VAL E 142
VAL E 151
1.64A
APR  E 201 (-4.4A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
1.78A
None
APR  B 201 (-4.3A)
APR  B 201 (-3.7A)
APR  B 201 (-3.5A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 139
ASN A  37
VAL A  95
ALA A 112
VAL A 147
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 111
THR D 146
ASN D  15
VAL D 151
ALA D 124
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B  65
SER B  84
ASN B  58
VAL B  35
VAL B  24
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
1.79A
None
APR  A 201 (-4.4A)
APR  A 201 (-3.7A)
APR  A 201 (-3.4A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B 139
ASN B  37
VAL B  95
ALA B 112
VAL B 147
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 139
ASN C  37
VAL C  95
ALA C 112
VAL C 147
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 139
SER C 128
VAL C  49
ALA C  50
VAL C  95
VAL C  35
1.78A
None
APR  C 201 (-4.4A)
APR  C 201 (-3.6A)
APR  C 201 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER E  65
SER E  84
ASN E  58
VAL E  35
VAL E  24
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 139
SER D 128
VAL D  49
ALA D  50
VAL D  95
VAL D  35
1.79A
None
APR  D 201 (-4.3A)
APR  D 201 (-3.7A)
APR  D 201 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER D 139
ASN D  37
VAL D  95
ALA D 112
VAL D 147
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 139
SER E 128
VAL E  49
ALA E  50
VAL E  95
VAL E  35
1.80A
None
APR  E 201 (-4.4A)
APR  E 201 (-3.7A)
APR  E 201 (-3.4A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 139
ASN C  37
VAL C  95
ALA C 112
VAL C 147
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER A 139
SER A 128
VAL A  49
ALA A  50
VAL A  95
VAL A  35
1.74A
None
MES  A 201 (-4.4A)
None
MES  A 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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 139
SER C 128
VAL C  49
ALA C  50
VAL C  95
VAL C  35
1.74A
None
MES  C 201 (-4.6A)
None
MES  C 201 ( 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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B 139
ASN B  37
VAL B  95
ALA B 112
VAL B 147
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 139
ASN A  37
VAL A  95
ALA A 112
VAL A 147
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		5 / 12
SER A 147
SER A 144
ASN A  28
VAL C   3
ALA C   2
1.58A
None
PJE  C   5 ( 4.1A)
None
02J  C   1 ( 4.7A)
02J  C   1 ( 3.6A)
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		5 / 12
SER A 759
THR A 680
ASN A 568
VAL A 560
ALA A 558
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
ILE B 185
ILE A 450
ASN A 403
ALA A 406
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		5 / 12
SER A 397
THR A 393
ASN A 447
THR A 556
VAL A 667
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ARG A 183
VAL A 182
ALA A 176
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		4 / 8
ILE A 757
ILE A 696
ASN A 703
VAL A 700
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		4 / 8
ILE A 696
ARG A 640
ILE A 589
VAL A 476
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		4 / 8
ILE A 562
ILE A 536
ASN A 507
ALA A 375
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7btf NSP12
(SARS-CoV-2)		5 / 12
SER A 561
ASN A 568
THR A 687
VAL A 662
VAL A 535
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
ILE B 185
ILE B 166
VAL A 405
ALA A 400
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
SER A 267
VAL A 212
ALA A 211
VAL A 204
VAL A 296
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ARG A 183
VAL A 182
ALA A 176
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
SER A 709
ASN A 138
VAL A 128
ALA A 125
THR A 123
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 8
ILE B 185
ILE B 166
ASN A 404
VAL A 405
ALA A 400
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 696
ARG A 640
ILE A 589
VAL A 476
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ILE B 185
ILE A 450
ASN A 403
ALA A 406
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 856
ILE A 888
ASN A 909
ALA A 866
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
THR B 123
ASN B 100
ASN B 108
ALA A 382
VAL A 330
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 856
ILE A 888
ASN A 911
ALA A 866
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 757
ILE A 696
ASN A 703
VAL A 700
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 562
ILE A 536
ASN A 507
ALA A 375
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
SER A 607
SER A 754
ASN A 600
THR A 591
THR A 817
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A 562
ILE A 536
ASN A 507
ALA A 375
1.19A
None
None
U  T   8 ( 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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
SER A 607
SER A 754
ASN A 600
THR A 591
THR A 817
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
SER A 664
THR A 567
VAL A 535
THR A 344
VAL A 330
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A 696
ARG A 640
ILE A 589
VAL A 476
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ILE B 185
ILE A 450
ASN A 403
ALA A 406
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A 757
ILE A 696
ASN A 703
VAL A 700
1.24A
None