GL1X · GenesisL1 explorer

Ligand · O39

O39 · (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium

O39, (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium (C50 H40 Ir N6 O S, 965.2 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
O39
Formula
C50 H40 Ir N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

O39 in 2 structures; the first of them:

  • 7UAY · Crystal structure of human CYP3A4 with the caged inhibitor · O39 A602 · binds PHE57, ARG105, ARG106, PHE108, GLY109, SER119, ASP217, PHE220 and 10 more
  • 7UAY · Crystal structure of human CYP3A4 with the caged inhibitor · O39 A602 · binds PHE57, ARG105, ARG106, PHE108, GLY109, SER119, ASP217, PHE220 and 10 more

Residues it binds most

PHE 2, ARG 2, GLY 2, LEU 2, THR 2, ALA 2, ASP 2, GLU 2, ILE 2, SER 2 (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.