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Ligand · NYF

NYF · N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide

NYF, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide (C34 H37 N5 O3 S, 595.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
NYF
Formula
C34 H37 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NYF in 2 structures; the first of them:

  • 7UFF · Human CYP3A4 bound to an inhibitor · NYF A603 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, SER119, ILE120 and 14 more
  • 7UFF · Human CYP3A4 bound to an inhibitor · NYF A603 · binds PHE57, ASP76, ARG105, ARG106, PHE108, SER119, ILE120, LEU211 and 7 more

Residues it binds most

PHE 4, ARG 4, ILE 4, THR 4, ALA 4, ASP 4, LEU 3, SER 4, GLU 2, TYR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • PO4 · Phosphate ion

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