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Ligand · OQK

OQK · 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid

OQK, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid (C17 H11 F3 N4 O2 S, 392.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
OQK
Formula
C17 H11 F3 N4 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

OQK in 1 structure; the first of them:

  • 8B20 · NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 · OQK A306 · binds LEU65, MET67, VAL73, ALA74, TRP93, HIS120, HIS122, GLN123 and 8 more

Residues it binds most

HIS 1, LEU 1, ALA 1, ASN 1, ASP 1, CYS 1, GLN 1, GLY 1, LYS 1, MET 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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