Ligand · A1BCK

A1BCK · N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide

A1BCK, N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide (C9 H11 N O3 S2, 245.3 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…

Component: A1BCK
Formula: C9 H11 N O3 S2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1BCK in 1 structure; the first of them:

7HIQ · Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from… · A1BCK A208 · binds ALA22, ALA23, ASN24, GLY30, ASP31, GLY32, VAL33, CYS34 and 4 more

Residues it binds most

ALA 3, GLY 3, VAL 3, ASN 3, ASP 3, CYS 3, LEU 3, THR 3, TYR 3 (residue and the binding sites it lines).

Found with

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

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