Ligand ID: MIT


Drugbank ID:
DB00278
(Argatroban)


Indication:
Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MIT' 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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
LEU A 177
ASP A 153
VAL A 104
CYH A 156
1.78A20.89
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		5 / 12
TYR E 423
TRP E 353
LEU E 425
GLY E 431
GLY E 381
1.75A20.60
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A1049
SER A 721
VAL A 722
GLY A1046
GLY A1044
1.61A12.60
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR B  87
LEU B  64
ASP C  81
GLY B 170
GLY B  60
1.67A19.05
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
LEU A 177
ASP A 153
VAL A 104
CYH A 156
1.71A20.89
None