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Ligand · D7J

D7J · tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate

D7J, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate (C26 H38 N4 O3 S, 486.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
D7J
Formula
C26 H38 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D7J in 2 structures; the first of them:

  • 6BD7 · Crystal structure of human CYP3A4 bound to an inhibitor · D7J A602 · binds ARG105, PHE108, SER119, ILE120, ARG212, PHE213, PHE215, PHE241 and 9 more
  • 6BD7 · Crystal structure of human CYP3A4 bound to an inhibitor · D7J A602 · binds ARG105, PHE108, SER119, ILE120, ARG212, PHE213, PHE215, PHE304 and 6 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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