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Ligand · X7M

X7M · tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

X7M, tert-butyl [(2S)-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
X7M
Formula
C31 H39 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X7M in 2 structures; the first of them:

  • 7KVJ · Human CYP3A4 bound to an inhibitor · X7M A602 · binds ARG105, ARG106, PHE108, MET114, SER119, ILE120, ILE301, PHE304 and 4 more
  • 7KVJ · Human CYP3A4 bound to an inhibitor · X7M A602 · binds ARG105, ARG106, PHE108, MET114, SER119, ILE120, ILE301, PHE304 and 4 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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