GL1X · GenesisL1 explorer

Ligand · X8P

X8P · (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~}) ruthenium

X8P, (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2…

Component
X8P
Formula
C58 H62 N8 O3 Ru S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X8P in 2 structures; the first of them:

  • 7KSA · Crystal structure of human CYP3A4 with the caged inhibitor · X8P A602 · binds PHE57, ASP76, ARG105, ARG106, PHE108, SER119, ILE120, PHE220 and 13 more
  • 7KSA · Crystal structure of human CYP3A4 with the caged inhibitor · X8P A602 · binds PHE57, ARG105, ARG106, PHE108, SER119, PHE220, THR224, PHE241 and 9 more

Residues it binds most

PHE 2, ARG 2, ILE 2, ALA 2, THR 2, GLU 2, GLY 2, MET 2, SER 2, ASP 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.