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Ligand · 5PS

5PS · (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide

5PS, (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide (C29 H22 F2 N4 O2, 496.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
5PS
Formula
C29 H22 F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

5PS in 2 structures; the first of them:

  • 4BY0 · Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor… · 5PS A1460 · binds TYR103, MET106, PHE110, TYR116, PRO210, VAL213, PHE290, ALA291 and 8 more
  • 4BY0 · Crystal structure of trypanosoma cruzi CYP51 bound to the inhibitor… · 5PS A1460 · binds TYR103, MET106, PHE110, TYR116, PRO210, VAL213, PHE290, ALA291 and 8 more

Residues it binds most

MET 4, TYR 4, VAL 4, ALA 4, LEU 4, PHE 4, CYS 4, PRO 4, THR 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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