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Ligand · J3R

J3R · 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl) amino]propanoic acid

J3R, 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl) amino]propanoic acid (C10 H10 N4 O5, 266.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
J3R
Formula
C10 H10 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

J3R in 2 structures; the first of them:

  • 7EGO · X-ray structure of the human heart fatty acid-binding protein complexed with the… · J3R A201 · binds PHE16, TYR19, MET20, LEU23, VAL25, THR29, ALA33, THR53 and 11 more
  • 7EGO · X-ray structure of the human heart fatty acid-binding protein complexed with the… · J3R A201 · binds PHE16, TYR19, MET20, LEU23, VAL25, THR29, ALA33, PHE57 and 7 more

Residues it binds most

LEU 2, ALA 2, ARG 2, PHE 2, TYR 2, THR 2, ASP 2, LYS 2, MET 2, VAL 2 (residue and the binding sites it lines).

Found with

  • P6G · Hexaethylene glycol

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