Ligand ID: CU9


Drugbank ID:
DB01336
(Metocurine)


Indication:
Metocurine is a muscle relaxant.

Get human targets for CU9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CU9' AND SARS-COV-2 / COVID-19 STRUCTURES

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6lzg ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR B 505
LYS A 353
GLN B 506
ILE B 402
SER B 443
1.79A22.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.56A22.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR C 161
CYH C 128
TYR C 118
GLN A 299
SER C 147
1.78A22.56
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR B 161
CYH B 128
TYR B 118
GLN D 299
SER B 147
1.76A22.56
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR D 161
CYH D 128
TYR D 118
GLN B 299
SER D 147
1.79A22.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
THR D 292
GLN D 127
GLN D 110
ILE D 106
1.77A22.56
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A 161
CYH A 128
TYR A 118
GLN C 299
SER A 147
1.78A22.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
THR A 292
GLN A 127
GLN A 110
ILE A 106
1.78A22.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR B 874
GLN B1054
GLN B 872
SER B1055
1.12A10.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR C 874
GLN C1054
GLN C 872
SER C1055
1.18A11.08
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR B 874
GLN B1054
GLN B 872
SER B1055
1.22A11.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
GLN C 493
TYR C 453
GLN C 409
ILE C 418
1.67A19.31
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
GLN C 493
TYR C 453
ILE C 418
SER C 494
1.72A19.31
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w75 NSP16
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.73A20.87
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w75 NSP16
(SARS-CoV-2)		4 / 6
THR C6846
GLN C6847
ILE C6838
SER C7041
1.72A20.87
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TRP C 106
TYR B 273
CYH B 111
TYR B 264
1.37A23.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TRP A 106
TYR C 273
CYH C 111
TYR C 264
1.37A23.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TRP B 106
TYR A 273
CYH A 111
TYR A 264
1.51A23.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR C6846
GLN C6847
ILE C6838
SER C7041
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR C6846
GLN C6847
ILE C6838
SER C7041
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.68A
MLI  E 903 ( 4.0A)
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR B  31
GLN B   1
TYR A 369
SER B 100
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN A 493
TYR A 453
GLN A 409
ILE A 418
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR H  31
GLN H   1
TYR E 369
SER H 100
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN A 493
TYR A 453
GLN A 409
ILE A 418
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLN E 493
TYR E 453
GLN E 409
ILE E 418
SER B  17
1.76A19.92
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR E 453
GLN E 409
ILE E 418
SER B  17
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR B  31
GLN B   1
TYR A 369
SER B 100
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR H  31
GLN H   1
TYR E 369
SER H 100
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
THR A 111
GLN A 110
ILE A 106
SER A 113
1.77A
None
None
None
DMS  A 406 ( 4.8A)