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Ligand · J9K

J9K · tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate

J9K, tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate (C23 H31 N3 O3 S, 429.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
J9K
Formula
C23 H31 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

J9K in 2 structures; the first of them:

  • 4D78 · Cytochrome P450 3A4 bound to an inhibitor · J9K A1600 · binds ARG105, PHE108, MET114, SER119, ILE120, LEU210, LEU211, PHE241 and 9 more
  • 4D78 · Cytochrome P450 3A4 bound to an inhibitor · J9K A1600 · binds ARG105, PHE108, MET114, SER119, ILE120, LEU210, LEU211, PHE241 and 9 more

Residues it binds most

ILE 2, LEU 2, PHE 2, ALA 2, ARG 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
  • GOL · Glycerol

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