Ligand ID: 0TX


Drugbank ID:
DB00608
(Chloroquine)


Indication:
For the suppressive treatment and for acute attacks of malaria due to P. vivax, P.malariae, P. ovale, and susceptible strains of P. falciparum, Second-line agent in treatment of Rheumatoid Arthritis

Get human targets for 0TX in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '0TX' 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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m0j ACE2
SPIKE RECEPTOR
BINDING DOMAIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
GLY E 502
GLY E 504
ASN A 330
GLN E 498
PHE E 497
1.54A21.37
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 7
GLY E 504
GLY E 404
TYR E 508
ASN E 437
1.33A21.37
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		4 / 7
GLY F 504
GLY F 404
TYR F 508
ASN F 437
1.37A21.54
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m71 NSP12
(SARS-CoV-2)		4 / 6
GLN A 292
ILE A 466
PHE A 287
PHE A 283
1.61A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m71 NSP12
(SARS-CoV-2)		5 / 10
MET A 519
ASN A 356
VAL A 535
GLN A 661
PHE A 506
1.61A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m71 NSP12
(SARS-CoV-2)		4 / 7
GLY A 678
GLY A 679
MET A 626
GLU A 665
1.52A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY B 504
GLY B 404
TYR B 508
ASN B 437
1.38A10.93
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE A  86
PRO A  85
PHE A 238
PHE A 106
1.26A10.93
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE B  86
PRO B  85
PHE B 238
PHE B 106
1.43A10.78
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE C  86
PRO C  85
PHE C 238
PHE C 106
1.32A10.70
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 7
GLY C 404
GLY C 504
TYR C 505
ASN C 501
1.71A23.18
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 7
GLY C 504
GLY C 404
TYR C 508
ASN C 437
1.36A23.18
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w4h NSP10
(SARS-CoV-2)		4 / 7
GLY B4323
GLY B4322
MET B4297
TYR B4349
1.35A21.58
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w61 NSP10
(SARS-CoV-2)		4 / 7
GLY B4323
GLY B4322
MET B4297
TYR B4349
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w6y NSP3
(SARS-CoV-2)		4 / 7
GLY B  97
GLY B  78
ASN B 115
GLU B 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w6y NSP3
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w75 NSP10
(SARS-CoV-2)		4 / 7
GLY B4323
GLY B4322
MET B4297
TYR B4349
1.34A21.58
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w75 NSP10
(SARS-CoV-2)		4 / 7
GLY D4323
GLY D4322
MET D4297
TYR D4349
1.34A21.58
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wcf NSP3
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wen NSP3
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wey NSP3
(SARS-CoV-2)		4 / 7
GLY A 301
GLY A 282
ASN A 319
GLU A 308
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 6
GLN D 306
PHE D 307
PRO D 302
PHE C 315
1.79A19.83
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 6
GLN C 306
PHE C 307
PRO C 302
PHE D 315
1.80A19.83
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wjt NSP10
(SARS-CoV-2)		4 / 7
GLY B4323
GLY B4322
MET B4297
TYR B4349
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wjt NSP10
(SARS-CoV-2)		4 / 7
GLY D4323
GLY D4322
MET D4297
TYR D4349
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wkq NSP10
(SARS-CoV-2)		4 / 7
GLY D4323
GLY D4322
MET D4297
TYR D4349
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wkq NSP10
(SARS-CoV-2)		4 / 7
GLY B4323
GLY B4322
MET B4297
TYR B4349
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY D  97
GLY D  78
ASN D 115
GLU D 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY C  97
GLY C  78
ASN C 115
GLU C 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY B  97
GLY B  78
ASN B 115
GLU B 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wq3 NSP10
(SARS-CoV-2)		4 / 7
GLY B4323
GLY B4322
MET B4297
TYR B4349
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 6
GLN A  43
ILE A  34
PRO A 122
PHE A  70
1.79A20.50
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY A 404
GLY A 504
TYR A 505
ASN A 501
1.65A
DMS  A 903 (-3.5A)
DMS  A 903 ( 4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 404
GLY E 504
TYR E 505
ASN E 501
1.63A
DMS  E 902 (-3.4A)
DMS  E 902 ( 4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
GLY L  63
TYR A 369
ASN A 370
GLU L  61
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
GLY C  63
TYR E 369
ASN E 370
GLU C  61
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 504
GLY E 404
TYR E 508
ASN E 437
1.45A
DMS  E 902 ( 4.6A)
DMS  E 902 (-3.4A)
DMS  E 902 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY A 504
GLY A 404
TYR A 508
ASN A 437
1.44A
DMS  A 903 ( 4.0A)
DMS  A 903 (-3.5A)
DMS  A 903 (-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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 404
GLY E 504
TYR E 505
ASN E 501
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 504
GLY E 404
TYR E 508
ASN E 437
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY A 404
GLY A 504
TYR A 505
ASN A 501
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 404
GLY E 504
TYR E 505
ASN E 501
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY A 504
GLY A 404
TYR A 508
ASN A 437
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 504
GLY E 404
TYR E 508
ASN E 437
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY B  97
GLY B  78
ASN B 115
GLU B 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY C  97
GLY C  78
ASN C 115
GLU 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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY D  97
GLY D  78
ASN D 115
GLU D 104
1.68A
None
None
EDO  D 201 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
1.73A
EDO  A 202 ( 4.9A)
None
EDO  D 201 (-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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY E  97
GLY E  78
ASN E 115
GLU E 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY C  97
GLY C  78
ASN C 115
GLU C 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY B  97
GLY B  78
ASN B 115
GLU B 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY D  97
GLY D  78
ASN D 115
GLU D 104
1.74A
None
None
EDO  A 207 ( 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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
1.75A
None
None
EDO  A 207 (-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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY E  97
GLY E  78
ASN E 115
GLU E 104
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY C  97
GLY C  78
ASN C 115
GLU C 104
1.69A
None
None
EDO  A 202 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY A  97
GLY A  78
ASN A 115
GLU A 104
1.74A
None
None
EDO  A 202 ( 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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY A  47
GLY A  51
ASN A  37
GLU B 170
1.55A
MES  A 201 ( 4.8A)
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY B  97
GLY B  78
ASN B 115
GLU B 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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY A  47
GLY A  46
ASN A  40
GLU B 170
1.66A
MES  A 201 ( 4.8A)
MES  A 201 ( 4.9A)
MES  A 201 (-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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7btf NSP12
(SARS-CoV-2)		4 / 7
GLY A 678
GLY A 679
MET A 626
GLU A 665
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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7btf NSP12
(SARS-CoV-2)		5 / 10
MET A 519
ASN A 356
VAL A 535
GLN A 661
PHE A 506
1.59A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7btf NSP12
(SARS-CoV-2)		4 / 6
GLN A 292
ILE A 466
PHE A 287
PHE A 283
1.68A13.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv1 NSP12
(SARS-CoV-2)		5 / 10
MET A 519
ASN A 356
VAL A 535
GLN A 661
PHE A 506
1.60A13.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv1 NSP12
(SARS-CoV-2)		4 / 7
GLY A 678
GLY A 679
MET A 626
GLU A 665
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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv2 NSP12
(SARS-CoV-2)		5 / 10
MET A 519
ASN A 356
VAL A 535
GLN A 661
PHE A 506
1.62A13.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv2 NSP12
(SARS-CoV-2)		4 / 7
GLY A 678
GLY A 679
MET A 626
GLU A 665
1.56A
None