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Ligand · 775

775 · 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

775, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (C17 H16 Cl N5 O, 341.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
775
Formula
C17 H16 Cl N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

775 in 2 structures; the first of them:

  • 5BWV · X-ray crystal structure at 1.86A resolution of human mitochondrial branched chain… · 775 A402 · binds PHE30, PHE75, TYR141, ARG143, TYR173, VAL182, LEU184, LYS202 and 17 more
  • 5BWV · X-ray crystal structure at 1.86A resolution of human mitochondrial branched chain… · 775 A402 · binds PHE30, PHE75, TYR141, ARG143, TYR173, VAL182, LEU184, LYS202 and 17 more

Residues it binds most

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

Found with

  • PLP · Pyridoxal-5'-phosphate
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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