GL1X · GenesisL1 explorer

Ligand · 5AW

5AW · N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide

5AW, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide (C25 H40 N6 O4 S2, 552.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
5AW
Formula
C25 H40 N6 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

5AW in 2 structures; the first of them:

  • 4K9U · Complex of human CYP3A4 with a desoxyritonavir analog · 5AW A602 · binds LYS208, LYS209, PHE220, VAL240, PHE304, ALA305, THR309, GLY481 and 1 more
  • 4K9U · Complex of human CYP3A4 with a desoxyritonavir analog · 5AW A602 · binds LYS208, LYS209, PHE220, VAL240, PHE304, ALA305, THR309, GLY481 and 1 more

Residues it binds most

PHE 4, GLY 4, LEU 4, ILE 2, LYS 2, ALA 2, ARG 2, ASP 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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