Ligand · A1AQI

A1AQI · 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine

A1AQI, 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine (C10 H13 N3, 175.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component: A1AQI
Formula: C10 H13 N3
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1AQI in 1 structure; the first of them:

7H8T · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AQI B206 · binds LEU121, THR122, LEU125, ASN126, PHE129, LYS151, ALA155, MET158

Residues it binds most

ALA 3, MET 3, ARG 2, ASP 2, CYS 2, GLY 2, ILE 2, LEU 1, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

CL · Chloride ion
DMS · Dimethyl sulfoxide
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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