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Ligand · D7M

D7M · Tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl) carbamate

D7M, Tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl) carbamate (C21 H34 N4 O3 S, 422.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
D7M
Formula
C21 H34 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D7M in 2 structures; the first of them:

  • 6BD5 · Crystal structure of human CYP3A4 bound to an inhibitor · D7M A602 · binds ARG105, PHE108, SER119, ILE120, ARG212, PHE213, PHE215, PHE241 and 8 more
  • 6BD5 · Crystal structure of human CYP3A4 bound to an inhibitor · D7M A602 · binds PHE108, SER119, ILE120, ILE301, PHE304, ALA305, THR309, ALA370 and 2 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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