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Ligand · PKT

PKT · tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate

PKT, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate (C25 H32 N4 O3 S, 468.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
PKT
Formula
C25 H32 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PKT in 2 structures; the first of them:

  • 4D7D · Cytochrome P450 3A4 bound to an inhibitor · PKT A1600 · binds ARG105, PHE108, MET114, SER119, ILE120, LEU210, LEU211, ILE301 and 9 more
  • 4D7D · Cytochrome P450 3A4 bound to an inhibitor · PKT A1600 · binds ARG105, PHE108, MET114, SER119, ILE120, LEU210, LEU211, ILE301 and 9 more

Residues it binds most

ILE 2, LEU 2, ALA 2, ARG 2, PHE 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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