Ligand ID: 9KL


Drugbank ID:
DB09214
(Dexketoprofen)


Indication:
For short-term treatment of mild to moderate pain, including dysmenorrhoea.

Get human targets for 9KL in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9KL' AND SARS-COV-2 / COVID-19 STRUCTURES

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		5 / 12
PHE E 338
ILE E 358
LEU E 513
GLY E 526
LEU E 387
1.64A18.21
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR A 200
PHE A 168
ILE A 231
TYR A 170
ARG C 357
1.61A16.21
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE C 338
ILE C 358
LEU C 513
GLY C 526
LEU C 387
1.36A16.21
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
TYR B 279
SER B 294
PHE B 269
ILE B 270
LEU B 266
1.54A24.33
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 139
ILE B 106
TYR B 113
HIS B 138
ALA B 129
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C1055
ILE C 818
LEU C 938
ALA C1056
LEU C 945
1.32A15.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE B 818
LEU B 938
GLY B1059
ALA B1056
LEU B 945
1.39A15.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 338
ILE A 358
LEU A 513
GLY A 526
LEU A 387
1.43A15.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR C 266
SER C  94
ILE C 210
LEU C 212
ALA C 264
1.63A15.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR C 369
ILE C 434
TYR H  52
LEU C 513
LEU C 387
1.67A15.83
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
PHE C 338
ILE C 358
LEU C 513
GLY C 526
LEU C 387
1.77A15.83
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR C 369
ILE C 434
TYR H  52
LEU C 513
LEU C 387
1.69A15.83
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w4h NSP16
(SARS-CoV-2)		5 / 12
SER A6943
ILE A6969
LEU A7004
HIS A7023
ALA A6976
1.60A20.75
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
SER A6943
ILE A6969
LEU A7004
HIS A7023
ALA A6976
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w6y NSP3
(SARS-CoV-2)		5 / 12
TYR B 113
SER B 111
ILE B 106
ALA B 112
LEU B 127
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER B 139
ILE B 106
TYR B 113
HIS B 138
ALA B 129
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w6y NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.49A
None
None
None
None
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w75 NSP16
(SARS-CoV-2)		5 / 12
SER C6943
ILE C6969
LEU C7004
HIS C7023
ALA C6976
1.53A16.84
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w75 NSP16
(SARS-CoV-2)		5 / 12
SER A6943
ILE A6969
LEU A7004
HIS A7023
ALA A6976
1.56A16.84
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE C6985
ILE C6955
LEU C6959
ALA C6966
LEU C6924
1.66A16.84
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
1.70A16.84
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
1.66A16.84
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE C6985
ILE C6955
LEU C6959
ALA C6966
LEU C6924
1.71A16.84
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 305
ARG A 183
LEU A 234
GLY A 209
LEU A 185
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR B 305
ARG B 183
LEU B 234
GLY B 209
LEU B 185
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR C 305
ARG C 183
LEU C 234
GLY C 209
LEU C 185
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wcf NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
LEU A 126
GLY A  78
ALA A 112
LEU A 109
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wcf NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6wen NSP3
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wey NSP3
(SARS-CoV-2)		5 / 12
TYR A 317
SER A 315
ILE A 310
ALA A 316
LEU A 331
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wey NSP3
(SARS-CoV-2)		5 / 12
PHE A 320
LEU A 330
GLY A 282
ALA A 316
LEU A 313
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wey NSP3
(SARS-CoV-2)		5 / 12
SER A 343
ILE A 310
TYR A 317
HIS A 342
ALA A 333
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER A 318
TYR B 333
PHE B 314
ILE A 337
ALA A 313
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR F 333
PHE F 314
ILE E 337
GLY E 316
ALA E 313
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR C 333
PHE C 314
ILE D 337
GLY D 316
ALA D 313
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE D 315
ILE C 304
HIS C 356
GLY D 321
LEU C 339
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR A 333
PHE A 314
ILE B 337
GLY B 316
ALA B 313
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR E 333
PHE E 314
ILE F 337
GLY F 316
ALA F 313
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR D 333
PHE D 314
ILE C 337
GLY C 316
ALA C 313
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER E 318
TYR F 333
PHE F 314
ILE E 337
ALA E 313
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR B 333
PHE B 314
ILE A 337
GLY A 316
ALA A 313
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE C 315
ILE D 304
HIS D 356
GLY C 321
LEU D 339
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE C6985
ILE C6955
LEU C6959
ALA C6966
LEU C6924
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE C6985
ILE C6955
LEU C6959
ALA C6966
LEU C6924
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
SER C6943
ILE C6969
LEU C7004
HIS C7023
ALA C6976
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
SER A6943
ILE A6969
LEU A7004
HIS A7023
ALA A6976
1.56A
FMT  A7108 (-2.6A)
None
None
None
FMT  A7108 ( 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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wkq NSP16
(SARS-CoV-2)		5 / 12
SER A6943
ILE A6969
LEU A7004
HIS A7023
ALA A6976
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wkq NSP16
(SARS-CoV-2)		5 / 12
SER C6943
ILE C6969
LEU C7004
HIS C7023
ALA C6976
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE C6985
ILE C6955
LEU C6959
ALA C6966
LEU C6924
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE C6985
ILE C6955
LEU C6959
ALA C6966
LEU C6924
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.46A
None
None
None
None
APR  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.
5ZWR_B_9KLB402_0
(EST-Y29)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER C 139
ILE C 106
TYR C 113
HIS C 138
ALA C 129
1.44A
None
None
None
None
APR  C 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.
5ZWR_B_9KLB402_0
(EST-Y29)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 139
ILE B 106
TYR B 113
HIS B 138
ALA B 129
1.50A
None
None
None
None
APR  B 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.
5ZWR_B_9KLB402_0
(EST-Y29)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER D 139
ILE D 106
TYR D 113
HIS D 138
ALA D 129
1.45A
None
None
None
None
APR  D 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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ILE A6955
LEU A6959
ALA A6966
LEU A6924
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
SER A6943
ILE A6969
LEU A7004
HIS A7023
ALA A6976
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wqd NSP8
(SARS-CoV-2)		5 / 12
SER D 151
ILE D 120
ARG D 190
LEU D 128
ALA D 152
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
TYR D 149
SER D 151
ILE D 107
LEU C  60
ALA D 150
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
TYR D 149
SER D 151
ILE D 107
LEU C  60
ALA D 150
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 338
ILE A 358
LEU A 513
GLY A 526
LEU A 387
1.73A
None
None
None
None
DMS  A 905 ( 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.
5ZWR_A_9KLA402_0
(EST-Y29)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 338
ILE E 358
LEU E 513
GLY E 526
LEU E 387
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 338
ILE E 358
LEU E 513
GLY E 526
LEU E 387
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.
5ZWR_A_9KLA402_0
(EST-Y29)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 338
ILE A 358
LEU A 513
GLY A 526
LEU A 387
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 338
ILE E 358
LEU E 513
GLY E 526
LEU E 387
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER E 139
ILE E 106
TYR E 113
HIS E 138
ALA E 129
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B 139
ILE B 106
TYR B 113
HIS B 138
ALA B 129
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 139
ILE C 106
TYR C 113
HIS C 138
ALA C 129
1.50A
None
EDO  C 208 ( 4.2A)
None
EDO  C 208 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER D 139
ILE D 106
TYR D 113
HIS D 138
ALA D 129
1.50A
None
EDO  D 204 (-4.2A)
None
EDO  D 204 (-4.1A)
EDO  D 205 (-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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
TYR C 113
SER C 111
ILE C 106
ALA C 112
LEU C 127
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER D 139
ILE D 106
TYR D 113
HIS D 138
ALA D 129
1.41A
None
None
None
None
APR  D 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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.46A
None
EDO  A 204 ( 4.0A)
None
EDO  A 204 ( 4.0A)
APR  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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 139
ILE C 106
TYR C 113
HIS C 138
ALA C 129
1.42A
None
None
None
None
APR  C 201 (-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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER E 139
ILE E 106
TYR E 113
HIS E 138
ALA E 129
1.37A
None
None
None
None
APR  E 201 (-3.5A)
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B 139
ILE B 106
TYR B 113
HIS B 138
ALA B 129
1.42A
None
None
None
None
APR  B 201 (-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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 139
ILE C 106
TYR C 113
HIS C 138
ALA C 129
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 139
ILE A 106
TYR A 113
HIS A 138
ALA A 129
1.47A
None
EDO  A 205 ( 4.3A)
None
EDO  A 205 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
TYR C 113
SER C 111
ILE C 106
ALA C 112
LEU C 127
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.
5ZWR_B_9KLB402_0
(EST-Y29)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER B 139
ILE B 106
TYR B 113
HIS B 138
ALA B 129
1.53A
None
EDO  B 204 ( 4.5A)
None
EDO  B 204 ( 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.
5ZWR_B_9KLB402_0
(EST-Y29)		7btf NSP7
NSP8
(SARS-CoV-2)		5 / 12
TYR D 149
SER D 151
ILE D 107
LEU C  60
ALA D 150
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.
5ZWR_B_9KLB402_0
(EST-Y29)		7btf NSP8
(SARS-CoV-2)		5 / 12
SER D 151
ILE D 120
ARG D 190
LEU D 128
ALA D 152
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.
5ZWR_B_9KLB402_0
(EST-Y29)		7btf NSP7
NSP8
(SARS-CoV-2)		5 / 12
TYR D 149
SER D 151
ILE D 107
LEU C  56
ALA D 150
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_B_9KLB402_0
(EST-Y29)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
SER A 692
PHE A 480
ILE A 579
LEU A 575
ALA A 690
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.
5ZWR_B_9KLB402_0
(EST-Y29)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
SER A 692
PHE A 480
ILE A 579
LEU A 575
ALA A 690
1.67A
None