GL1X · GenesisL1 explorer

Ligand · 2W4

2W4 · 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

2W4, 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (C25 H24 N4 O3, 428.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
2W4
Formula
C25 H24 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2W4 in 2 structures; the first of them:

  • 4PIV · Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069 · 2W4 A2205 · binds HIS1263, PRO1264, LEU1265, LEU1975, SER2021, VAL2022, SER2023, ARG2026 and 12 more
  • 4PIV · Human fatty acid synthase PSI/KR tri-domain with NADPH and GSK2194069 · 2W4 A2205 · binds HIS1263, PRO1264, LEU1265, LEU1975, SER2021, VAL2022, SER2023, ARG2026 and 12 more

Residues it binds most

LEU 4, SER 4, GLY 4, VAL 4, ALA 4, ARG 4, ASN 4, GLN 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • CAC · Cacodylate ion

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