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Ligand · X7P

X7P · tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

X7P, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate (C31 H39 N3 O3 S, 533.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
X7P
Formula
C31 H39 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X7P in 2 structures; the first of them:

  • 7KVI · Human CYP3A4 bound to an inhibitor · X7P A603 · binds PHE57, ARG105, PHE108, SER119, ILE120, PHE220, PHE241, ILE301 and 5 more
  • 7KVI · Human CYP3A4 bound to an inhibitor · X7P A603 · binds PHE57, ARG105, PHE108, SER119, ILE120, PHE220, PHE241, ILE301 and 5 more

Residues it binds most

PHE 2, ALA 2, ILE 2, ARG 2, GLY 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • GOL · Glycerol

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