GL1X · GenesisL1 explorer

Ligand · A1IJ2

A1IJ2 · 1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid

A1IJ2, 1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid (C23 H16 F3 N3 O6, 487.4 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
A1IJ2
Formula
C23 H16 F3 N3 O6
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1IJ2 in 1 structure; the first of them:

  • 9GCD · CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH Fulacimstat (COMPOUND86) · A1IJ2 AAA301 · binds SER97, THR98, LEU99, PHE173, SER189, ALA190, PHE191, LYS192 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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