GL1X · GenesisL1 explorer

Ligand · 8E8

8E8 · 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

8E8, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one (C25 H26 N6 O2, 442.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
8E8
Formula
C25 H26 N6 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

8E8 in 3 structures; the first of them:

  • 6YG2 · Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric… · 8E8 A514 · binds MET142, GLY143, SER144, GLY145, LYS165, ILE179, ASP182, LEU183 and 11 more
  • 5P9J · BTK1 cocrystallized with ibrutinib · 8E8 A701 · binds LEU408, VAL416, ALA428, LYS430, MET449, ILE472, THR474, GLU475 and 10 more
  • 6YG2 · Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric… · 8E8 A514 · binds MET142, GLY143, SER144, GLY145, LYS165, ILE179, ASP182, LEU183 and 11 more

Residues it binds most

MET 3, LEU 3, GLU 3, GLY 3, ILE 3, LYS 3, SER 3, ASP 3, CYS 3, PHE 3 (residue and the binding sites it lines).

Found with

  • 1E8 · 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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