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Ligand · 4W4

4W4 · 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

4W4, 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (C18 H17 Cl F N5 O, 373.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
4W4
Formula
C18 H17 Cl F N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4W4 in 2 structures; the first of them:

  • 5BWX · X-ray crystal structure at 1.70A resolution of human mitochondrial branched chain… · 4W4 A402 · binds PHE30, PHE75, TYR141, ARG143, VAL182, LEU184, LYS202, TYR207 and 16 more
  • 5BWX · X-ray crystal structure at 1.70A resolution of human mitochondrial branched chain… · 4W4 A402 · binds PHE30, PHE75, TYR141, ARG143, VAL182, LEU184, LYS202, TYR207 and 16 more

Residues it binds most

GLY 4, VAL 4, TYR 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
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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