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Ligand · 4VR

4VR · 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

4VR, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (C15 H16 Br N5 O, 362.2 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…

Component
4VR
Formula
C15 H16 Br N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4VR in 2 structures; the first of them:

  • 5BWU · X-ray crystal structure at 2.17A resolution of human mitochondrial branched chain… · 4VR A402 · binds PHE30, PHE75, TYR141, ARG143, VAL182, LEU184, LYS202, TYR207 and 14 more
  • 5BWU · X-ray crystal structure at 2.17A resolution of human mitochondrial branched chain… · 4VR A402 · binds PHE30, PHE75, TYR141, ARG143, VAL182, LEU184, LYS202, TYR207 and 14 more

Residues it binds most

VAL 4, TYR 4, GLY 4, CYS 4, LEU 4, PHE 4, ALA 4, ARG 4, GLN 4, LYS 4 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • EDO · 1,2-ethanediol

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