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Ligand · T0K

T0K · (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl) propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl) ethyl]propanamide

T0K, (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl) propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl) ethyl]propanamide (C33 H36 N4 O2 S, 552.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
T0K
Formula
C33 H36 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

T0K in 2 structures; the first of them:

  • 7UFD · Human CYP3A4 bound to an inhibitor · T0K A602 · binds PHE57, ARG105, ARG106, PHE108, SER119, ILE120, ARG212, PHE213 and 11 more
  • 7UFD · Human CYP3A4 bound to an inhibitor · T0K A602 · binds PHE57, ARG105, ARG106, PHE108, SER119, ILE120, ARG212, PHE213 and 11 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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