GL1X · GenesisL1 explorer

Ligand · 7AW

7AW · N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide

7AW, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide (C33 H48 N6 O4 S2, 656.9 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
7AW
Formula
C33 H48 N6 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7AW in 2 structures; the first of them:

  • 4K9W · Complex of human CYP3A4 with a desoxyritonavir analog · 7AW A602 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, SER119, LEU210 and 15 more
  • 4K9W · Complex of human CYP3A4 with a desoxyritonavir analog · 7AW A602 · binds TYR53, PHE57, ASP76, ARG105, ARG106, PHE108, SER119, LEU210 and 15 more

Residues it binds most

PHE 8, ILE 8, LEU 8, ARG 8, THR 8, ALA 8, ASP 8, CYS 8, GLU 8, GLY 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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