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Ligand · 0BB

0BB · 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid

0BB, 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid (C21 H20 N2 O3 S, 380.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
0BB
Formula
C21 H20 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0BB in 2 structures; the first of them:

  • 3S0N · Crystal Structure of Human Chymase with Benzimidazolone Inhibitor · 0BB A230 · binds LYS28, HIS45, LEU86, ALA177, PHE178, LYS179, SER182, VAL196 and 6 more
  • 3S0N · Crystal structure of human chymase with benzimidazolone inhibitor · 0BB A230 · binds LYS28, HIS45, LEU86, ALA177, PHE178, LYS179, SER182, VAL196 and 6 more

Residues it binds most

SER 2, ALA 2, LYS 2, ARG 2, GLY 2, HIS 2, LEU 2, PHE 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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