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Ligand · A1IJ0

A1IJ0 · 1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid

A1IJ0, 1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid (C23 H19 F3 N4 O5, 488.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
A1IJ0
Formula
C23 H19 F3 N4 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1IJ0 in 1 structure; the first of them:

  • 9GCC · Crystal structure of human chymase in complex with COMPOUND47 · A1IJ0 AAA301 · binds SER97, THR98, LEU99, PHE173, SER189, ALA190, PHE191, LYS192 and 10 more

Residues it binds most

SER 1, ALA 1, PHE 1, VAL 1, ARG 1, ASP 1, GLY 1, LEU 1, LYS 1, THR 1 (residue and the binding sites it lines).

Found with

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

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