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Ligand · O3L

O3L · (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium

O3L, (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium (C42 H36 Ir N6 O S, 865.1 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
O3L
Formula
C42 H36 Ir N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

O3L in 2 structures; the first of them:

  • 7UAZ · Crystal structure of human CYP3A4 with the caged inhibitor · O3L A602 · binds PHE57, ARG105, ARG106, PRO107, PHE108, SER119, PHE220, THR224 and 9 more
  • 7UAZ · Crystal structure of human CYP3A4 with the caged inhibitor · O3L A602 · binds PHE57, ARG105, ARG106, PRO107, PHE108, SER119, PHE220, ALA305 and 4 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe

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