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Ligand · KYJ

KYJ · (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl) ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

KYJ, (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl) ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide (C26 H20 N4 O4, 452.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
KYJ
Formula
C26 H20 N4 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

KYJ in 1 structure; the first of them:

  • 6NRJ · Crystal structure of human parp-1 art domain bound to inhibitor UTT93 · KYJ A1101 · binds HIS862, GLY863, ARG878, ILE879, ALA880, PRO881, ALA884, THR887 and 9 more

Residues it binds most

ALA 1, TYR 1, GLY 1, ARG 1, GLU 1, HIS 1, ILE 1, LYS 1, PHE 1, PRO 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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