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Ligand · 6AW

6AW · 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate

6AW, 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate (C25 H40 N6 O5 S2, 568.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
6AW
Formula
C25 H40 N6 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6AW in 2 structures; the first of them:

  • 4K9V · Complex of CYP3A4 with a desoxyritonavir analog · 6AW A602 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, SER119, PHE213 and 14 more
  • 4K9V · Complex of CYP3A4 with a desoxyritonavir analog · 6AW A602 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, SER119, PHE213 and 14 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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