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Ligand · 18I

18I · 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide

18I, 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]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 with…

Component
18I
Formula
C29 H22 F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

18I in 2 structures; the first of them:

  • 4BJK · CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1… · 18I A1460 · binds TYR103, PHE105, MET106, PHE110, TYR116, GLU205, SER206, LEU208 and 10 more
  • 4BJK · CYP51 of trypanosoma brucei bound to (S)-N-(3-(1H-indol-3… · 18I A1460 · binds TYR103, PHE105, MET106, PHE110, TYR116, GLU205, SER206, LEU208 and 10 more

Residues it binds most

ALA 8, PHE 8, TYR 8, MET 8, LEU 8, THR 8, VAL 8, CYS 6, GLU 2, HIS 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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