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Ligand · YH0

YH0 · 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide

YH0, 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide (C24 H20 N6 O2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
YH0
Formula
C24 H20 N6 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

YH0 in 2 structures; the first of them:

  • 8FYY · Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10) · YH0 A1101 · binds TRP861, HIS862, GLY863, THR887, GLY888, TYR889, TYR896, PHE897 and 5 more
  • 8G0H · Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break. · YH0 D1101 · binds TYR710, LEU713, SER714, GLN717, VAL758, GLN759, ALA762, ASP766 and 13 more

Residues it binds most

TYR 3, GLY 3, ALA 3, SER 3, GLN 2, GLU 3, HIS 3, LYS 3, PHE 3, TRP 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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