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Ligand · A1IJ3

A1IJ3 · 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid

A1IJ3, 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid (C23 H19 F3 N4 O5, 488.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
A1IJ3
Formula
C23 H19 F3 N4 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1IJ3 in 1 structure; the first of them:

  • 9GC9 · Crystal structure of human chymase in complex with COMPOUND27 · A1IJ3 AAA302 · binds THR96, SER97, THR98, LEU99, ASP175, SER189, ALA190, PHE191 and 12 more

Residues it binds most

SER 1, ALA 1, ASP 1, THR 1, VAL 1, ARG 1, GLY 1, LEU 1, LYS 1, PHE 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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