Ligand · A1BCI

A1BCI · 1-({5-[(4-iodophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one

A1BCI, 1-({5-[(4-iodophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one (C15 H12 I N3 O2, 393.2 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…

Component: A1BCI
Formula: C15 H12 I N3 O2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1BCI in 1 structure; the first of them:

7HIO · Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from… · A1BCI B202 · binds MET9, ASP10, ILE11, GLY32, VAL33, THR111, GLY112, TYR142 and 4 more

Residues it binds most

ASP 1, GLY 1, ARG 1, CYS 1, ILE 1, MET 1, THR 1, TRP 1, TYR 1, VAL 1 (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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