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Ligand · G0D

G0D · Tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0D, Tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate (C29 H35 N3 O3 S, 505.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
G0D
Formula
C29 H35 N3 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

G0D in 2 structures; the first of them:

  • 6DA2 · Human CYP3A4 bound to an inhibitor · G0D A603 · binds ARG105, ARG106, PHE108, SER119, ILE120, PHE215, PHE241, ILE301 and 5 more
  • 6DA3 · Human CYP3A4 bound to an inhibitor · G0D A602 · binds ARG105, PHE108, SER119, PHE241, ILE301, PHE304, ALA305, THR309

Residues it binds most

PHE 2, ALA 2, ARG 2, ILE 2, SER 2, THR 2, GLU 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • GOL · Glycerol

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