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Ligand · 8AW

8AW · 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate

8AW, 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate (C28 H35 N3 O3 S, 493.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
8AW
Formula
C28 H35 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8AW in 2 structures; the first of them:

  • 4K9X · Complex of human CYP3A4 with a desoxyritonavir analog · 8AW A602 · binds ARG105, ARG106, PHE108, SER119, LEU210, LEU211, PHE241, ILE301 and 8 more
  • 4K9X · Complex of human CYP3A4 with a desoxyritonavir analog · 8AW A602 · binds ARG105, ARG106, PHE108, SER119, LEU210, LEU211, PHE241, ILE301 and 8 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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