GL1X · GenesisL1 explorer

Ligand · 8BP

8BP · N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

8BP, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide (C19 H26 F N9 O, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
8BP
Formula
C19 H26 F N9 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

8BP in 2 structures; the first of them:

  • 5UG8 · Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a… · 8BP A9001 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, CYS775, MET790 and 11 more
  • 5UG8 · Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a… · 8BP A9001 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, CYS775, MET790 and 11 more

Residues it binds most

LEU 2, CYS 2, GLY 2, MET 2, PHE 2, ALA 2, ARG 2, ASP 2, GLN 2, PRO 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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