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-RELATED PROTEINS ONLY

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.24A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 10
TRP H 103
GLY H  50
GLY H  49
GLN L  89
PHE L  98
1.64A24.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY S 490
GLY S 391
TYR S 494
ASN S 424
1.40A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 10
GLY A  49
GLY A  48
ASN A 157
VAL A 156
PHE A 133
1.66A22.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 7
GLY H  70
GLY H  69
MET H  44
TYR H  96
1.24A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 490
GLY E 391
TYR E 494
ASN E 424
1.32A20.75
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ILE A 345
PRO A 324
PHE A 325
PHE A 329
1.35A20.75
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 143
TYR A 118
ASN A 119
GLU A 166
1.33A22.29
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 7
GLY B 143
TYR B 118
ASN B 119
GLU B 166
1.19A22.33
XP1  B1304 (-3.8A)
None
None
XP1  B1304 (-1.6A)
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2xyr NSP10
(SARSr-CoV)		4 / 7
GLY B  70
GLY B  69
MET B  44
TYR B  96
1.36A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
GLY A 490
GLY A 391
TYR A 494
ASN A 424
1.37A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 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])		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.35A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.31A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.38A23.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 7
TRP A  60
GLY C   0
MET A   5
TYR A   7
GLU D 154
1.61A21.58
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])		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 143
TYR A 118
ASN A 119
GLU A 166
1.38A22.08
None
Potential target for repurposing, i.e. matched protein structure has less than 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])		3r24 NSP10 AND NSP11
(SARSr-CoV)		4 / 7
GLY B  70
GLY B  69
MET B  44
TYR B  96
1.38A21.37
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_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3sci ACE2
(Homo
sapiens)		5 / 10
GLY B 286
GLU B 433
ASN B 432
GLN B 429
PHE B 428
1.54A16.75
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.23A20.78
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_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.25A23.29
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 490
GLY E 391
TYR E 494
ASN E 424
1.35A23.29
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 490
GLY F 391
TYR F 494
ASN F 424
1.33A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		4 / 7
GLY A 164
GLY B  75
TYR A 274
GLU A 162
0.88A22.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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])		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY B 164
GLY A  75
TYR B 274
GLU B 162
0.97A22.26
None
GLZ  A  76 ( 2.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		4 / 7
GLY D 164
GLY E  75
TYR D 274
GLU D 162
1.07A22.70
None
AYE  E  76 (-2.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		4 / 7
GLY D 164
GLY C 154
TYR D 274
GLU D 162
0.84A22.12
None
AYE  C 155 (-2.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY B 490
GLY B 391
TYR B 494
ASN B 424
1.34A11.00
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE A  83
PRO A  82
PHE A 231
PHE A 103
1.35A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
GLY A 212
GLU A 184
VAL A 186
PHE A 262
PHE A  62
1.78A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
GLY B 862
GLY B 867
GLN B 786
PHE B 784
PHE B 880
1.58A10.98
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
GLN A 786
PHE A 784
PHE A 782
PHE A 880
1.35A10.98
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
GLY C 490
GLY C 391
TYR C 494
ASN C 424
1.42A10.98
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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x5f S PROTEIN
(MERS-CoV)		5 / 10
GLY C 558
GLY C 538
ASN C 468
VAL C 396
GLN C 395
1.10A11.31
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x5f S PROTEIN
(MERS-CoV)		4 / 6
PHE B  40
ILE B 132
PRO B 134
PHE B  39
1.44A11.31
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x5f S PROTEIN
(MERS-CoV)		4 / 7
GLY B 624
GLY C 331
TYR C 332
ASN C 277
1.32A11.31
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
GLN B 883
PHE B 880
PRO B 879
PHE B 779
PHE B 784
1.75A11.00
GLN  B 883 ( 0.6A)
PHE  B 880 ( 1.3A)
PRO  B 879 ( 1.1A)
PHE  B 779 ( 1.3A)
PHE  B 784 ( 1.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE A  83
PRO A  82
PHE A 231
PHE A 103
1.41A11.00
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY B 490
GLY B 391
TYR B 494
ASN B 424
0.95A11.00
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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
GLY A 780
GLY A 781
ASN B 691
GLN A 883
PHE A 784
1.76A11.00
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 6
GLN B 883
PHE B 880
ILE B 878
PRO B 879
PHE B 779
1.54A10.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
GLY C 212
GLU C 184
VAL C 186
PHE C 262
PHE C  62
1.71A11.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLY B 490
GLY B 391
TYR B 494
ASN B 424
1.24A11.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
GLN C 883
PHE C 880
ILE C 878
PRO C 879
1.25A11.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		5 / 10
GLY B  67
ASN B  46
VAL B  45
PHE B  90
PHE B  81
1.48A17.69
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		4 / 7
GLY B  67
GLY B  66
TYR B  71
ASN B  51
0.93A17.69
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
PHE C 549
ILE C 496
PHE C 546
PHE C 550
1.34A17.50
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])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 490
GLY A 391
TYR A 494
ASN A 424
1.39A11.33
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 6
GLN B 883
PHE B 880
PRO B 879
PHE B 779
PHE B 784
1.77A11.33
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.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nur NSP12
(SARSr-CoV)		5 / 10
MET A 519
ASN A 356
VAL A 535
GLN A 661
PHE A 506
1.68A12.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY F 504
GLY F 404
TYR F 508
ASN F 437
1.29A24.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
GLY E 502
GLY E 504
ASN A 330
GLN E 498
PHE E 497
1.56A24.19
None