Ligand ID: CLQ


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 CLQ in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CLQ' 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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLU B  14
VAL B 125
PHE A 150
ILE A 152
PHE A 159
1.55A22.29
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		5 / 9
VAL A  67
ASP A  74
ILE A  97
ALA A  24
PHE B  56
1.69A20.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 6
GLY D 260
GLY D 261
ASN D 297
ILE D 223
1.47A21.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 7
ASN C 219
GLY C 233
VAL C 231
ILE C 313
1.31A21.81
None
None
GOL  C1005 (-4.2A)
GOL  C1005 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 5
GLY A 279
GLY A 260
ASN A 297
GLU A 286
1.57A21.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		3 / 3
MET A 243
GLU A 246
LEU A 225
1.37A19.21
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 9
GLY G 118
TYR G 154
ALA G 115
PHE G  97
ILE G 112
1.51A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ajf ACE2
(Homo
sapiens)		4 / 7
GLN B 522
PHE B 523
ILE B 446
PHE B 588
1.27A16.58
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
GLY D 336
VAL D 351
PHE C 316
ILE C 321
PHE C 315
1.19A19.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
VAL D 351
PHE C 316
ILE C 321
PHE C 315
1.06A19.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)		4 / 8
GLY A  49
VAL A  50
ILE B 122
PHE B   7
1.35A22.59
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 7
GLY A  49
VAL A  50
ILE B 122
PHE B   7
1.32A22.59
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 6
GLY B  79
GLY B  80
ASN B 116
ILE B  42
1.48A22.59
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)		3 / 3
MET B  62
GLU B  65
LEU B  44
1.40A19.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 5
GLY C  98
GLY C  79
ASN C 116
GLU C 105
1.56A22.59
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)		3 / 3
MET C  62
GLU C  65
LEU C  44
1.42A19.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
GLY B  47
GLY B  52
ASN B  38
PHE B 133
ILE B 132
1.38A22.59
APR  B 477 (-3.7A)
None
None
APR  B 477 (-3.5A)
APR  B 477 (-3.3A)
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 11
PHE C 133
ILE C 132
GLY B 104
GLY C  47
GLU B 105
1.53A22.59
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)		3 / 3
MET A  62
GLU A  65
LEU A  44
1.45A19.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 11
HIS H  80
GLY H  70
GLY H  69
MET H  44
TYR H  96
1.25A21.43
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
VAL A 351
PHE B 316
ILE B 321
PHE B 315
1.25A17.78
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2gib NUCLEOCAPSID PROTEIN
(SARSr)		4 / 8
VAL B 351
PHE A 316
ILE A 321
PHE A 315
1.12A17.78
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2gib NUCLEOCAPSID PROTEIN
(SARSr)		5 / 12
GLY A 336
VAL A 351
PHE B 316
ILE B 321
PHE B 315
1.36A17.78
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2gib NUCLEOCAPSID PROTEIN
(SARSr)		4 / 8
VAL A 351
PHE B 316
ILE B 321
PHE B 315
1.19A17.78
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2gri NSP3
(SARSr)		4 / 5
GLY A  77
GLY A  77
ASN A  75
GLU A  82
1.48A17.78
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2gri NSP3
(SARSr)		5 / 12
GLY A   9
GLY A   9
GLU A  10
VAL A   6
ILE A   3
1.29A17.78
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 9
VAL A 101
GLY A 100
ASP A 106
ILE A 107
ILE A  79
1.68A22.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		4 / 8
ASN A 101
VAL A  86
HIS A  88
ILE A  89
1.48A19.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 8
GLY B 253
HIS B 249
PHE B 240
ILE B 295
PHE B 329
1.40A22.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLY A 253
PHE A 240
ILE A 295
PHE A 329
0.96A22.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2O_C_CLQC1079_0
(SAPOSIN-B)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
ARG B 224
MET B 209
GLU B 215
LEU B 216
1.79A12.69
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
VAL C 101
GLY C 100
ASP C 106
ILE C 107
ILE C  79
1.70A22.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2qc2 3C-LIKE PROTEINASE
(-)		4 / 7
ASN A 142
GLY B 302
VAL B 303
PHE B 291
1.26A21.45
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
GLU A  14
VAL A 125
PHE B 150
ILE B 152
PHE B 159
1.52A21.45
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLY D  13
ASN D  11
GLU F 266
PHE D  55
ILE D  42
1.61A22.84
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
VAL C 101
GLY C 100
ASP C 106
ILE C 107
ILE C  79
1.67A22.34
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
MET B 165
GLU B 166
LEU B 167
1.33A13.45
None
XP1  B1304 (-1.6A)
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2w2g NSP3
(SARSr-CoV)		4 / 8
GLY A 614
VAL A 611
HIS A 613
ILE B 417
1.28A18.84
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2xyr NSP10
(SARSr-CoV)		5 / 11
HIS B  80
GLY B  70
GLY B  69
MET B  44
TYR B  96
1.43A20.35
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS A 378
ILE A 379
GLY A 352
GLY A 354
TYR E 491
1.40A16.75
 ZN  A 901 (-3.4A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLY E 490
GLY E 391
TYR E 494
GLN A  37
PHE E 483
1.55A21.99
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLN A 522
PHE A 523
ILE A 446
PHE A 588
1.33A16.75
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
GLY B 405
GLY B 377
GLU B 406
ILE B 407
1.64A16.75
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
MET B 101
GLU A 104
LEU B  42
1.76A19.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A  11
GLU B  14
VAL B 125
PHE A 150
ILE A 152
1.61A22.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A 165
GLU A 166
LEU A 167
1.37A12.66
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
VAL B 304
ASP B 303
TYR B 252
ALA B 262
ILE B 277
1.74A21.57
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3r24 NSP10 AND NSP11
(SARSr-CoV)		5 / 11
HIS B  80
GLY B  70
GLY B  69
MET B  44
TYR B  96
1.46A21.37
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3scj ACE2
(Homo
sapiens)		4 / 7
GLN A 522
PHE A 523
ILE A 446
PHE A 588
1.29A16.75
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS B 378
ILE B 379
GLY B 352
GLY B 354
TYR F 491
1.37A17.08
 ZN  B 901 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLY E 490
GLY E 391
TYR E 494
GLN A  37
PHE E 483
1.51A22.27
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		4 / 5
GLY A 164
GLY B  75
ASN A 110
GLU A 168
1.76A22.57
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		4mm3 UBIQUITIN
(Homo
sapiens)		3 / 3
MET A   1
GLU A  18
LEU A  56
1.49A20.22
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
GLY B 100
VAL B  99
ILE B 277
PHE B 259
1.29A22.26
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
ASN B 172
GLY A 218
PHE A 222
ILE A 281
1.38A19.61
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLU A  14
VAL A 125
PHE B 150
ILE B 152
PHE B 159
1.56A22.22
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY D 110
ASN D 116
ILE D  87
VAL D 199
ILE D 166
1.43A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
ASP C  22
TYR D 224
ALA C  20
PHE C  16
ILE D 201
1.54A17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5c8t NSP10
(SARSr-CoV)		5 / 11
HIS C  80
GLY C  70
GLY C  69
MET C  44
TYR C  96
1.54A21.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
ASN D 116
GLY D 114
VAL D 115
ILE D  87
1.27A15.70
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY B 110
ASN B 116
ILE B  87
VAL B 199
ILE B 166
1.55A15.70
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
ASN D 116
GLY D 114
VAL D 115
ILE D  87
1.24A15.70
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		4 / 5
GLY A 164
GLY B  75
ASN A 110
GLU A 168
1.63A22.70
None
AYE  B  76 ( 2.5A)
AYE  B  76 ( 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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		4 / 6
GLY A 164
GLY B  75
ASN A 110
GLU A 168
1.66A22.70
None
AYE  B  76 ( 2.5A)
AYE  B  76 ( 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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		5e6j UBIQUITIN
(synthetic
construct)		3 / 3
MET E   1
GLU E  18
LEU E  56
1.50A20.22
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		5e6j POLYUBIQUITIN-B
(synthetic
construct)		3 / 3
MET C   1
GLU C  18
LEU C  56
1.53A20.22
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLY B 110
ASN B 116
ILE B  87
VAL B 199
ILE B 166
1.52A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
ASN A 116
GLY A 114
VAL A 115
ILE A  87
1.23A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
ASN A 116
GLY A 114
VAL A 115
ILE A  87
1.22A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		4 / 5
GLY D 164
GLY C 156
ASN D 110
GLU D 168
1.70A22.12
None
AYE  C 157 ( 2.3A)
AYE  C 157 ( 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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLY D 100
GLY D 101
ASN B  16
ILE D 286
1.67A22.12
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
GLY D 100
VAL D  99
GLN D  98
PHE B   9
1.10A22.12
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY D 100
VAL D  99
GLN D  98
PHE B   9
1.14A22.12
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		5 / 11
HIS C 116
GLY D 164
GLY C 154
TYR D 274
GLU D 162
1.11A16.60
None
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
VAL B 304
ASP B 303
TYR B 252
ALA B 262
ILE B 277
1.75A21.75
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
VAL B1042
GLY B1041
ILE B 852
ALA B1038
PHE B 805
1.54A14.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY A 255
VAL A  66
PHE A 231
PHE A 103
1.14A18.77
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 255
VAL A  66
PHE A 231
PHE A 103
1.13A18.77
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLY B 255
VAL B  66
PHE B 231
PHE B 103
1.15A10.98
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
GLY B 255
VAL B  66
PHE B 231
PHE B 103
1.14A10.98
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
GLY B 104
MET B 107
ASN B 230
ILE B 115
1.52A10.98
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY A 192
GLY A 225
VAL A 196
PHE A  83
ILE A 228
1.59A10.98
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		5x59 S PROTEIN
(MERS-CoV)		5 / 9
GLY B 789
ILE B1123
TYR B1141
PHE B 869
ILE B 997
1.48A12.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x59 S PROTEIN
(MERS-CoV)		4 / 5
GLY C 538
GLY C 558
ASN C 501
GLU C 536
1.72A11.31
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x59 S PROTEIN
(MERS-CoV)		4 / 8
GLY B 610
VAL B 611
GLN C1056
ILE C1054
1.28A11.31
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x59 S PROTEIN
(MERS-CoV)		5 / 12
GLY B1140
GLY B 789
MET B1008
VAL B 983
PHE B1001
1.51A11.31
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
GLN A 883
PHE A 784
GLY A 780
GLY A 781
ASN A 910
1.54A10.98
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
VAL B 675
ILE B 656
TYR B 677
ALA B 639
ILE B 584
1.61A13.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY C 862
PHE C 784
ILE C 787
PHE C 909
1.25A11.00
GLY  C 862 ( 0.0A)
PHE  C 784 ( 1.3A)
ILE  C 787 ( 0.7A)
PHE  C 909 ( 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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A 100
ASN A  96
PHE A 187
ILE A 116
PHE A 185
1.44A11.00
GLY  A 100 ( 0.0A)
ASN  A  96 ( 0.6A)
PHE  A 187 ( 1.3A)
ILE  A 116 ( 0.6A)
PHE  A 185 ( 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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
VAL C1042
GLY C1041
ILE C 852
ALA C1038
PHE C 805
1.36A14.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLY A 638
ASN A 627
GLU A 593
ILE A 674
1.40A11.00
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6acg ACE2
(Homo
sapiens)		5 / 12
GLY D 354
GLY D 352
TYR D  41
PHE D 327
ILE D 379
1.59A16.75
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6acg ACE2
(Homo
sapiens)		4 / 8
GLY D 405
VAL D 404
HIS D 401
ILE D 379
0.94A16.75
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
HIS D 401
ILE D 379
GLY D 352
GLY D 354
TYR C 491
1.20A16.75
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack ACE2
(Homo
sapiens)		4 / 6
GLY D 200
ASN D 188
GLU D 398
ILE D 513
1.35A16.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASN A 230
GLY A 104
GLN A 112
PHE A 157
1.02A11.00
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
GLN A 883
PHE A 784
GLY A 780
GLY A 781
ASN A 910
1.48A11.00
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A 104
MET A 107
ASN A 230
ILE A 115
VAL A 196
1.49A11.00
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN A 230
GLY A 104
GLN A 112
PHE A 157
0.98A11.00
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
VAL C 675
ILE C 656
TYR C 677
ALA C 639
ILE C 584
1.72A13.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
GLY A 780
GLY A 781
ASN A 910
ILE C1112
1.18A10.92
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLY B 862
PHE B 784
ILE B 787
PHE B 909
1.13A10.92
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLY B 862
PHE B 784
ILE B 787
PHE B 909
1.12A10.92
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLY C 255
VAL C  66
PHE C 231
PHE C 103
1.14A11.19
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLY C 255
VAL C  66
PHE C 231
PHE C 103
1.12A11.19
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
GLY B 780
GLY B 781
ASN B 910
ILE A1112
1.15A11.19
None
None
None
NAG  A1310 (-4.6A)
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
GLN A 883
PHE A 784
GLY A 780
GLY A 781
ASN A 783
1.37A11.19
None
None
None
None
NAG  A1313 (-1.9A)
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY A 780
GLY A 781
ASN A 783
GLN A 883
PHE A 784
1.41A11.19
None
None
NAG  A1313 (-1.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		5 / 11
HIS D 378
ILE D 379
GLY D 352
GLY D 354
TYR B 491
1.38A16.69
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
VAL A1042
GLY A1041
ILE A 852
ALA A1038
PHE A 805
1.26A14.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		5 / 11
PHE A 587
ILE A 565
PHE A 472
GLY A 571
TYR A 543
1.55A17.69
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr)		4 / 8
GLY A 494
VAL A 495
PHE A 511
ILE A 545
1.25A17.69
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		4 / 6
GLY B 494
ASN B 489
GLU B 498
ILE B 592
1.42A17.69
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		4 / 7
GLY A 494
VAL A 495
PHE A 511
ILE A 545
1.25A17.69
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		5 / 12
GLY A  67
GLY A  66
TYR A  71
ILE A  79
PHE A  90
1.38A17.69
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLY A  67
GLY A  68
TYR A 322
GLU A 261
PHE A  58
1.61A17.50
None
None
None
NAG  A 703 (-2.6A)
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m17 ACE2
(Homo
sapiens)		4 / 6
GLY D 466
ASN D 188
GLU D 467
ILE D 468
1.46A14.18
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m18 ACE2
(Homo
sapiens)		4 / 8
GLY D 405
VAL D 404
HIS D 401
ILE D 379
0.96A14.18
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
GLY A 284
ASN A 435
GLU A 501
ILE A 497
1.28A17.50
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
MET A 542
GLU A  81
LEU A  85
1.32A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
GLY C 326
VAL C 324
ILE C 319
PHE C 255
1.19A17.50
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
VAL C 505
GLY C 510
ILE C 107
ILE C  92
GLU C 501
1.68A18.25
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m1d ACE2
(Homo
sapiens)		4 / 7
GLY B 104
GLN B 102
PHE B 390
PHE B  40
1.10A14.18
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
GLY C 326
VAL C 324
ILE C 319
PHE C 255
1.13A17.50
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		6m1d ACE2
(Homo
sapiens)		5 / 9
GLY D 354
ASP D 355
TYR D 385
PHE D 327
ILE D 379
1.80A16.30
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A 418
TYR A 367
VAL A 328
PHE A 361
PHE A 364
1.55A11.33
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY B 862
PHE B 784
ILE B 787
PHE B 909
1.03A11.33
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY B 862
PHE B 784
ILE B 787
PHE B 909
1.03A11.33
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
VAL C 675
ILE C 656
TYR C 677
ALA C 639
ILE C 584
1.64A13.28
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
GLN C 883
PHE C 784
GLY C 780
GLY C 781
ASN C 910
1.52A11.33
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLY A 780
GLY A 781
ASN A 910
ILE B1112
1.10A11.33
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nur NSP12
(SARSr-CoV)		4 / 6
GLY A 839
GLY A 841
ASN A 416
ILE A 837
1.24A12.85
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nur NSP12
(SARSr-CoV)		5 / 12
GLY A 841
GLY A 839
ILE A 837
PHE A 441
ILE A 548
1.44A12.85
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nus NSP12
(SARSr-CoV)		4 / 7
ASN A 297
GLY A 352
VAL A 353
PHE A 326
1.22A12.85
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nus NSP12
(SARSr-CoV)		4 / 8
ASN A 297
GLY A 352
VAL A 353
PHE A 326
1.21A12.85
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nus NSP12
(SARSr-CoV)		4 / 5
GLY A 678
GLY A 679
MET A 626
GLU A 665
1.60A12.85
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
HIS B 378
ILE B 379
GLY B 352
GLY B 354
TYR F 505
1.48A16.58
 ZN  B 703 ( 4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vw1 ACE2
(Homo
sapiens)		4 / 6
GLY B 405
GLY B 377
GLU B 406
ILE B 407
1.57A16.58
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vw1 ACE2
(Homo
sapiens)		4 / 8
GLY B 405
VAL B 404
HIS B 401
ILE B 379
0.89A16.58
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLY H  99
ILE H 102
VAL H  37
ILE H  34
PHE H  29
1.71A
None