Ligand ID: TIC


Drugbank ID:
DB00208
(Ticlopidine)


Indication:
Used in patients, who have had a stroke or stroke precursors and who cannot take aspirin or aspirin has not worked, to try to prevent another thrombotic stroke.

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

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

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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE C 905
ILE A 913
SER A 914
PHE A 909
ALA A 906
1.20A12.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		6 / 11
ILE A 335
ILE A 303
ALA A 336
ILE A 217
VAL A 218
VAL A 216
1.67A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 11
ILE E 161
ILE E 171
GLU E 176
VAL E 191
VAL E 165
1.28A17.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		6 / 11
ILE C 154
ILE C 122
ALA C 155
ILE C  36
VAL C  37
VAL C  35
1.65A16.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 540
GLU A 542
THR A 543
VAL A 632
GLY A  -4
1.36A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		3i6k HLA, A-2
(Homo
sapiens)		5 / 11
SER E 105
ALA A 184
GLU A 264
ILE A 213
VAL A 261
1.33A19.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ILE A 513
SER A 218
ILE A 223
VAL A 226
GLY A 220
1.36A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		5f22 NSP8
(SARSr-CoV)		6 / 11
ILE B 161
PHE B 152
ALA B 193
ILE B 190
VAL B 164
VAL B 137
1.68A15.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
ILE D  87
ILE D 166
PHE D 111
VAL D 181
VAL D 236
1.37A23.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
1.54A16.42
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
ILE B 955
SER B 954
PHE B1126
ILE B 861
GLY B 953
1.35A16.48
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE B  87
ILE B 116
PHE B 103
ILE B 234
GLY B 100
1.34A17.59
ILE  B  87 ( 0.6A)
ILE  B 116 ( 0.6A)
PHE  B 103 ( 1.3A)
ILE  B 234 ( 0.7A)
GLY  B 100 ( 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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE C 674
ILE C 656
ALA C 595
ILE C 299
GLY C 653
1.13A17.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6acg ACE2
(Homo
sapiens)		5 / 11
ILE D 513
SER D 218
ILE D 223
VAL D 226
GLY D 220
1.23A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE B 253
ALA B  91
GLU B 184
ILE B 203
VAL B 205
1.29A17.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6cs2 ACE2
(Homo
sapiens)		6 / 11
ILE D 513
SER D 218
GLU D 197
ILE D 223
VAL D 226
GLY D 220
1.75A20.45
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6jyt HELICASE
(SARSr-CoV)		6 / 11
ILE B 399
PHE B 291
ALA B 292
ILE B 370
VAL B 397
VAL B 272
1.10A22.69
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
ILE A 287
SER A 100
GLU A 501
ILE A 107
VAL A 103
1.15A21.95
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m1d ACE2
(Homo
sapiens)		5 / 11
ILE D 711
ILE D 622
SER D 680
GLU D 723
ILE D 618
1.24A19.66
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
1.53A21.22
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
SER B 177
THR B 137
ILE B 132
VAL B 159
1.56A18.00
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 11
ILE B 119
ALA A 383
ILE B 107
VAL A 330
VAL B 115
1.64A18.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ILE A 837
ILE A 888
ALA A 866
ILE A 864
VAL A 860
1.64A18.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ILE A 536
ILE A 539
THR A 565
ILE A 562
GLY A 503
1.50A18.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
SER B 177
THR B 137
ILE B 132
VAL B 186
1.64A18.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP7
NSP8
(SARS-CoV-2)		5 / 11
ILE D 119
SER C  57
ALA C  30
VAL C  22
VAL C  58
1.64A18.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6m71 NSP8
(SARS-CoV-2)		5 / 11
ILE B 172
ALA B 162
ILE B 185
VAL B 131
VAL B 186
1.63A18.00
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6nur NSP8
(SARSr-CoV)		6 / 11
ILE D 156
PHE D 147
ALA D 188
ILE D 185
VAL D 159
VAL D 132
1.66A17.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE A 119
PHE A 194
THR A 240
ILE A 101
GLY A 103
1.37A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
ILE A  86
ILE A 144
PHE A 123
ALA A  81
GLY A 126
1.31A21.16
None
None
None
None
GOL  A 402 (-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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE B 119
PHE B 194
THR B 240
ILE B 101
GLY B 103
1.34A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE C 119
PHE C 194
THR C 240
ILE C 101
GLY C 103
1.27A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11
ILE L  75
SER L  77
ALA L  12
ILE L 106
VAL L  83
1.76A14.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 11
ILE C 434
GLU H  56
ILE C 410
VAL C 510
VAL C 407
1.58A17.26
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w4h NSP10
(SARS-CoV-2)		5 / 11
ILE B4334
ILE B4291
ALA B4276
VAL B4361
GLY B4362
0.83A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w61 NSP10
(SARS-CoV-2)		5 / 11
ILE B4352
SER B4320
PHE B4363
ILE B4308
VAL B4350
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6926
SER A6973
PHE A7003
ALA A6966
ILE A6951
1.58A
None
EDO  A7102 ( 4.7A)
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6926
ILE A6955
ALA A6966
VAL A6865
GLY A6963
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w61 NSP10
(SARS-CoV-2)		5 / 11
ILE B4334
ILE B4291
ALA B4276
VAL B4361
GLY B4362
0.85A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6969
ILE A6955
ILE A7005
VAL A6965
GLY A7006
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w6y NSP3
(SARS-CoV-2)		5 / 11
ILE B  23
SER B 128
ALA B 124
VAL B  49
GLY B  97
1.76A17.16
None
MES  B 201 ( 4.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w6y NSP3
(SARS-CoV-2)		5 / 11
ILE A  23
SER A 128
ALA A 124
VAL A  49
GLY A  97
1.73A17.16
AMP  A 201 ( 4.0A)
None
None
AMP  A 201 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP16
(SARS-CoV-2)		5 / 11
ILE A6969
ILE A6955
ILE A7005
VAL A6965
GLY A7006
1.54A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP16
(SARS-CoV-2)		5 / 11
ILE C6969
ILE C6955
ILE C7005
VAL C6965
GLY C7006
1.51A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP10
(SARS-CoV-2)		5 / 11
ILE B4334
ILE B4291
ALA B4276
VAL B4361
GLY B4362
0.87A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP16
(SARS-CoV-2)		5 / 11
ILE A7079
ILE A7065
ALA A6960
GLU A7062
GLY A7011
1.66A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP10
(SARS-CoV-2)		5 / 11
ILE D4334
ILE D4291
ALA D4276
VAL D4361
GLY D4362
0.94A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP16
(SARS-CoV-2)		5 / 11
ILE A6926
SER A6973
PHE A7003
ALA A6966
ILE A6951
1.52A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP16
(SARS-CoV-2)		5 / 11
ILE C6926
SER C6973
PHE C7003
ALA C6966
ILE C6951
1.53A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP10
(SARS-CoV-2)		5 / 11
ILE D4352
SER D4320
PHE D4363
ILE D4308
VAL D4350
1.67A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w75 NSP10
(SARS-CoV-2)		5 / 11
ILE B4352
SER B4320
PHE B4363
ILE B4308
VAL B4350
1.66A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ILE C 151
PHE C 147
ALA C 144
THR C  90
ILE C 104
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wiq NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
ILE B 166
GLU B 171
VAL B 186
VAL B 160
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 11
ILE B 119
SER A  57
ALA A  30
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wiq NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
PHE B 147
ALA B 188
ILE B 185
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
ILE B 304
ILE B 337
PHE A 315
ILE B 357
GLY A 321
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
ILE D 304
ILE D 337
PHE C 315
ILE D 357
GLY C 321
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
ILE E 304
ILE E 337
PHE F 315
ILE E 357
GLY F 321
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
ILE F 304
ILE F 337
PHE E 315
ILE F 357
GLY E 321
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
ILE A 304
ILE A 337
PHE B 315
ILE A 357
GLY B 321
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
ILE C 304
ILE C 337
PHE D 315
ILE C 357
GLY D 321
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6969
ILE A6955
ILE A7005
VAL A6965
GLY A7006
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE C7079
ILE C7065
ALA C6960
GLU C7062
GLY C7011
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A7079
ILE A7065
ALA A6960
GLU A7062
GLY A7011
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt NSP10
(SARS-CoV-2)		5 / 11
ILE B4334
ILE B4291
ALA B4276
VAL B4361
GLY B4362
0.83A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE C6969
ILE C6955
ILE C7005
VAL C6965
GLY C7006
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt NSP10
(SARS-CoV-2)		5 / 11
ILE B4352
SER B4320
PHE B4363
ILE B4308
VAL B4350
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6926
SER A6973
PHE A7003
ALA A6966
ILE A6951
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt NSP10
(SARS-CoV-2)		5 / 11
ILE D4334
ILE D4291
ALA D4276
VAL D4361
GLY D4362
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt NSP10
(SARS-CoV-2)		5 / 11
ILE D4352
SER D4320
PHE D4363
ILE D4308
VAL D4350
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE C6926
SER C6973
PHE C7003
ALA C6966
ILE C6951
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP16
(SARS-CoV-2)		5 / 11
ILE C6969
ILE C6955
ILE C7005
VAL C6965
GLY C7006
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP16
(SARS-CoV-2)		5 / 11
ILE A7079
ILE A7065
ALA A6960
GLU A7062
GLY A7011
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP10
(SARS-CoV-2)		5 / 11
ILE B4334
ILE B4291
ALA B4276
VAL B4361
GLY B4362
0.86A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP10
(SARS-CoV-2)		5 / 11
ILE D4352
SER D4320
PHE D4363
ILE D4308
VAL D4350
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP16
(SARS-CoV-2)		5 / 11
ILE C6926
SER C6973
PHE C7003
ALA C6966
ILE C6951
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP10
(SARS-CoV-2)		5 / 11
ILE B4352
SER B4320
PHE B4363
ILE B4308
VAL B4350
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP16
(SARS-CoV-2)		5 / 11
ILE A6926
SER A6973
PHE A7003
ALA A6966
ILE A6951
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP16
(SARS-CoV-2)		5 / 11
ILE A6969
ILE A6955
ILE A7005
VAL A6965
GLY A7006
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wkq NSP10
(SARS-CoV-2)		5 / 11
ILE D4334
ILE D4291
ALA D4276
VAL D4361
GLY D4362
0.86A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
ILE B 236
ILE B 306
SER B 309
PHE B 303
VAL B 339
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
ILE A 236
ILE A 306
SER A 309
PHE A 303
VAL A 339
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
ILE A  86
ILE A 144
PHE A 123
ALA A  81
GLY A 126
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
ILE B  86
ILE B 144
PHE B 123
ALA B  81
GLY B 126
1.33A
None
None
None
None
ACT  B 408 (-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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6926
SER A6973
PHE A7003
ALA A6966
ILE A6951
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wq3 NSP10
(SARS-CoV-2)		5 / 11
ILE B4334
ILE B4291
ALA B4276
VAL B4361
GLY B4362
0.92A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
ILE A6969
ILE A6955
ILE A7005
VAL A6965
GLY A7006
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP8
(SARS-CoV-2)		5 / 11
ILE D 156
PHE D 147
ALA D 188
ILE D 185
VAL D 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 11
ILE B 119
SER A  57
ALA A  30
VAL A  22
VAL A  58
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
ILE B 166
GLU B 171
VAL B 186
VAL B 160
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 11
ILE D 119
SER C  57
ALA C  30
VAL C  22
VAL C  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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP8
(SARS-CoV-2)		5 / 11
ILE D 156
ILE D 166
GLU D 171
VAL D 186
VAL D 160
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP8
(SARS-CoV-2)		5 / 11
ILE D 185
ALA D 181
ILE D 172
VAL D 167
VAL D 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP8
(SARS-CoV-2)		5 / 11
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
PHE B 147
ALA B 188
ILE B 185
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 11
ILE B 107
ALA B 110
ILE A  68
VAL A  66
GLY A  64
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
1.66A15.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
PHE A 294
THR A 111
ILE A 200
VAL A 202
GLY A 109
1.68A15.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE D 156
SER D 177
THR D 137
ILE D 132
VAL D 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE B 119
SER A  57
ALA A  30
VAL A  22
VAL A  58
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE D 156
PHE D 147
ALA D 188
ILE D 185
VAL D 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE B 156
PHE B 147
ALA B 188
ILE B 185
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE D 156
ILE D 166
GLU D 171
VAL D 186
VAL D 160
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE B 156
ILE B 166
GLU B 171
VAL B 186
VAL B 160
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE B 156
SER B 177
THR B 137
ILE B 132
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE D 185
ALA D 181
ILE D 172
VAL D 167
VAL D 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE D 119
SER C  57
ALA C  30
VAL C  22
VAL C  58
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
ILE B 107
ALA B 110
ILE A  68
VAL A  66
GLY A  64
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
ILE E 434
GLU H  57
ILE E 410
VAL E 510
VAL E 407
1.56A
None
MLI  E 908 ( 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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 11
SER L  83
ALA L  12
GLU L  17
ILE L 112
VAL L  89
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
ILE A 434
GLU B  57
ILE A 410
VAL A 510
VAL A 407
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
ILE E 434
GLU H  57
ILE E 410
VAL E 510
VAL E 407
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
SER L  83
ALA L  12
GLU L  17
ILE L 112
VAL L  89
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
SER C  83
ALA C  12
GLU C  17
ILE C 112
VAL C  89
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
ILE B  23
SER B 128
ALA B 124
VAL B  49
GLY B  97
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
ILE C  23
SER C 128
ALA C 124
VAL C  49
GLY C  97
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
ILE C  23
SER C 128
ALA C 124
VAL C  49
GLY C  97
1.67A
EDO  C 206 (-4.1A)
MES  C 201 (-4.6A)
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP12
(SARS-CoV-2)		5 / 11
ILE A 536
ILE A 539
THR A 565
ILE A 562
GLY A 503
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP12
(SARS-CoV-2)		5 / 11
ILE A  37
PHE A  48
THR A 710
ILE A 715
VAL A  42
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP12
(SARS-CoV-2)		5 / 11
ILE A 837
ILE A 888
ALA A 866
ILE A 864
VAL A 860
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
ILE B 166
GLU B 171
VAL B 186
VAL B 160
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP8
(SARS-CoV-2)		5 / 11
ILE D 156
ILE D 172
THR D 141
ILE D 132
VAL D 186
1.53A
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP8
(SARS-CoV-2)		5 / 11
ILE D 156
THR D 141
ILE D 132
VAL D 130
VAL D 186
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7btf NSP8
(SARS-CoV-2)		5 / 11
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
ILE A 213
ILE A 281
ALA A 210
GLU A 288
GLY A 283
1.58A
None
None
None
None
DMS  A 404 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
ILE B 185
ALA B 181
ILE B 172
VAL B 167
VAL B 159
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 11
ILE B 119
ALA A 383
ILE B 107
VAL A 330
VAL B 115
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
ILE D 156
THR D 141
ILE D 132
VAL D 130
VAL D 186
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
ILE A 536
ILE A 539
THR A 565
ILE A 562
GLY A 503
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
ILE B 166
GLU B 171
VAL B 186
VAL B 160
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
ILE D 132
THR D 145
ILE D 156
VAL D 159
VAL D 186
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
ILE D 156
ILE D 132
PHE D 147
ALA D 188
VAL D 159
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ILE A 837
ILE A 888
ALA A 866
ILE A 864
VAL A 860
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv2 NSP8
(SARS-CoV-2)		5 / 11
ILE B 156
ILE B 166
GLU B 171
VAL B 186
VAL B 160
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ILE A  37
PHE A  48
THR A 710
ILE A 715
VAL A  42
1.66A
None