Ligand ID: GM4


Drugbank ID:
DB00652
(Pentazocine)


Indication:
For the relief of moderate to severe pain.

Get human targets for GM4 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GM4' 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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ALA B 285
ASP B 289
TRP B 207
THR D 280
ALA D 285
1.77A20.25
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
VAL C 159
ALA C 157
TYR A 110
THR A  55
ALA C 156
1.70A20.74
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL A  36
ALA A 288
TYR A 279
ASP A  40
THR A 284
1.75A9.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 11
VAL A 110
ALA A 108
TYR A  31
LEU A  45
ALA A 107
1.72A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 11
VAL A 110
ALA A 108
TYR A  31
LEU A  45
ALA A 107
1.68A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 11
VAL A 110
ALA A 108
TYR A  31
LEU A  45
ALA A 107
1.65A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		7btf NSP12
(SARS-CoV-2)		5 / 11
VAL A 182
ALA A 250
MET A 124
TYR A 237
LEU A 207
1.79A13.37
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
VAL A 182
ALA A 250
MET A 124
TYR A 237
LEU A 207
1.78A13.25
None