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Ligand · 25S

25S · (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide

25S, (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide (C33 H29 F3 N6 O2, 598.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
25S
Formula
C33 H29 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

25S in 2 structures; the first of them:

  • 4UQH · Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor… · 25S A1485 · binds PHE48, ILE70, ILE72, VAL77, ILE79, TYR103, ILE105, MET106 and 12 more
  • 4UQH · Crystal structure of trypanosoma cruzi CYP51 bound to the inhibitor… · 25S A1485 · binds PHE48, ILE70, ILE72, VAL77, ILE79, TYR103, ILE105, MET106 and 12 more

Residues it binds most

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

Found with

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

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