Ligand ID: CQN


Drugbank ID:
DB01244
(Bepridil)


Indication:
For the treatment of hypertension, and chronic stable angina (classic effort-associated angina).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CQN' 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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.46A20.16
19.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
ALA A 266
LEU A 271
LEU A 272
LEU A 205
THR A 225
LEU A 208
1.36A20.27
19.87
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2bx4 3C-LIKE PROTEINASE
(SARS-COV
Sin2774)		6 / 10
ALA A 266
LEU A 271
LEU A 272
LEU A 205
THR A 225
LEU A 208
1.41A20.00
19.54
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.48A20.00
19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.52A20.22
19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 10
VAL A  62
ALA A  64
LEU A 108
LEU A 105
LEU A  50
1.01A16.48
20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.50A20.22
20.00
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2qc2 3C-LIKE PROTEINASE
(-)		6 / 10
ALA A 266
LEU A 271
LEU A 272
LEU A 205
THR A 225
LEU A 208
1.48A19.89
19.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.51A20.00
19.54
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.51A20.00
20.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.51A19.78
21.61
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.52A19.84
20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.47A19.73
17.15
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
ALA B 266
LEU B 271
LEU B 272
LEU B 205
THR B 225
LEU B 208
1.52A19.46
17.15
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 10
VAL C 204
LEU C 205
LEU A 242
LEU A 272
THR C 198
LEU A 268
1.49A13.69
22.98
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.52A19.95
19.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.50A20.00
20.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.46A19.72
19.54
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.51A20.16
19.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.51A19.89
17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.49A20.22
21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.51A20.00
20.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.43A20.00
18.83
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 10
VAL B 204
LEU B 205
LEU B 242
LEU B 272
THR B 198
LEU B 268
1.52A20.27
19.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
VAL B 115
ALA B  92
LEU B  86
LEU B  81
LEU B  18
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 10
VAL H 115
ALA H  92
LEU H  86
LEU H  81
LEU H  18
1.44A
None