Ligand ID: GMR


Drugbank ID:
DB00222
(Glimepiride)


Indication:
For concomitant use with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GMR' 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.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 12
LEU C 945
SER A 940
LEU C 938
SER C 937
SER B 937
1.68A18.69
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.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU B 272
TYR B 237
SER B 267
LEU B 208
PHE B 230
1.76A19.78
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.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU A 272
TYR A 237
SER A 267
LEU A 208
PHE A 230
1.76A19.78
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.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR B 204
LEU B 223
TYR B  37
LEU B 189
PHE B 194
1.79A12.71
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.
4YVX_A_GMRA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 272
TYR A 237
SER A 267
LEU A 208
PHE A 230
1.71A19.78
None