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Ligand · JGW

JGW · 2-methyl-3-[4-[[4-(trifluoromethyloxy) phenyl]methyl]phenyl]-3~{H}-quinolin-4-one

JGW, 2-methyl-3-[4-[[4-(trifluoromethyloxy) phenyl]methyl]phenyl]-3~{H}-quinolin-4-one (C24 H18 F3 N O2, 409.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
JGW
Formula
C24 H18 F3 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JGW in 2 structures; the first of them:

  • 6ZFS · Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4 · JGW C407 · binds ALA17, PHE18, LEU21, ILE27, TRP31, SER35, GLY38, ILE39 and 11 more
  • 6ZFS · Crystal structure of bovine cytochrome BC1 in complex with quinolone inhibitor wdh-1U-4 · JGW C407 · binds ALA17, PHE18, LEU21, ILE27, SER35, GLY38, ILE42, MET190 and 6 more

Residues it binds most

LEU 2, ILE 2, MET 2, PHE 2, SER 2, ALA 2, ASP 2, GLY 2, HIS 2, TRP 1 (residue and the binding sites it lines).

Found with

  • 6PE · 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
  • CDL · Cardiolipin
  • FES · Fe2/s2 (inorganic) cluster
  • HEC · Heme C
  • HEM · Protoporphyrin IX containing Fe
  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
  • PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine
  • PO4 · Phosphate ion
  • LMT · Dodecyl-beta-D-maltoside
  • PG4 · Tetraethylene glycol

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