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Ligand · 087

087 · 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide

087, 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide (C17 H18 Cl3 N5 O2, 430.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
087
Formula
C17 H18 Cl3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

087 in 2 structures; the first of them:

  • 3U2K · S. aureus GyrB ATPase domain in complex with a small molecule inhibitor · 087 A1 · binds ILE51, ASN54, SER55, GLU58, VAL79, ASP81, ARG84, GLY85 and 7 more
  • 3U2K · S. aureus gyrb ATPase domain in complex with a small molecule inhibitor · 087 A1 · binds ILE51, ASN54, SER55, GLU58, VAL79, ASP81, ARG84, GLY85 and 7 more

Residues it binds most

ILE 4, ARG 4, ASN 4, ASP 4, GLU 4, GLY 4, PRO 4, SER 4, THR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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