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Ligand · 4W6

4W6 · 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

4W6, 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (C16 H19 N5 O2, 313.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
4W6
Formula
C16 H19 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4W6 in 2 structures; the first of them:

  • 5BWW · X-ray crystal structure at 1.82A resolution of human mitochondrial branched chain… · 4W6 A402 · binds PHE30, PHE75, TYR141, ARG143, VAL182, LYS202, TYR207, GLN224 and 13 more
  • 5BWW · X-ray crystal structure at 1.82A resolution of human mitochondrial branched chain… · 4W6 A402 · binds PHE30, PHE75, TYR141, ARG143, VAL182, LYS202, TYR207, GLN224 and 13 more

Residues it binds most

GLY 4, VAL 4, TYR 4, CYS 4, PHE 4, THR 4, ALA 4, ARG 4, GLN 4, LEU 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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