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Ligand · A1IJO

A1IJO · 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid

A1IJO, 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid (C21 H17 F3 N2 O5, 434.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
A1IJO
Formula
C21 H17 F3 N2 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1IJO in 1 structure; the first of them:

  • 9GC1 · Crystal structure of human chymase in complex with COMPOUND8 · A1IJO AAA302 · binds SER97, THR98, LEU99, SER189, ALA190, PHE191, LYS192, ASP194 and 8 more

Residues it binds most

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