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Ligand · QE4

QE4 · Tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

QE4, Tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate (C34 H39 N3 O3 S, 569.8 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
QE4
Formula
C34 H39 N3 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

QE4 in 1 structure; the first of them:

  • 6UNK · Human CYP3A4 bound to an inhibitor · QE4 A602 · binds ARG105, ARG106, PHE108, SER119, ILE120, PHE215, PHE241, ILE301 and 5 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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