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Ligand · AAI

AAI · trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium

AAI, trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium (C16 H22 N4 O, 286.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
AAI
Formula
C16 H22 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

AAI in 2 structures; the first of them:

  • 2RCW · PARP complexed with A620223 · AAI A400 · binds VAL101, GLU102, ASP105, TRP200, HIS201, GLY202, GLY227, TYR228 and 7 more
  • 2RCW · Parp complexed with A620223 · AAI A400 · binds VAL101, GLU102, ASP105, TRP200, HIS201, GLY202, GLY227, TYR228 and 7 more

Residues it binds most

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

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