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Ligand · Z9Z

Z9Z · pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate

Z9Z, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate (C39 H50 N6 O4 S, 698.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
Z9Z
Formula
C39 H50 N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Z9Z in 2 structures; the first of them:

  • 4I4H · Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir · Z9Z A602 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, MET114, SER119 and 16 more
  • 4I4H · Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir · Z9Z A602 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, MET114, SER119 and 16 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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