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Ligand · WVH

WVH · 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide

WVH, 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide (C33 H29 F3 N6 O2, 598.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
WVH
Formula
C33 H29 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WVH in 2 structures; the first of them:

  • 4C0C · Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor… · WVH A1460 · binds ILE45, PHE48, ILE70, ILE72, TYR103, ILE105, MET106, PHE110 and 13 more
  • 4C0C · Crystal structure of trypanosoma cruzi CYP51 bound to the inhibitor… · WVH A1460 · binds ILE45, PHE48, ILE70, ILE72, TYR103, ILE105, MET106, PHE110 and 13 more

Residues it binds most

ILE 2, MET 2, PHE 2, ALA 2, TYR 2, VAL 2, CYS 2, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • GOL · Glycerol

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