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Ligand · P01

P01 · 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methylbutan-1-ol

P01, 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methylbutan-1-ol (C19 H25 Cl N6 O, 388.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
P01
Formula
C19 H25 Cl N6 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

P01 in 6 structures; the first of them:

  • 1YOM · Crystal structure of Src kinase domain in complex with Purvalanol A · P01 A1 · binds LEU275, GLY276, GLN277, VAL283, ALA295, LYS297, VAL325, THR340 and 10 more
  • 2IZU · Structure of casein kinase gamma 3 in complex with inhibitor · P01 A1335 · binds ILE49, GLY50, CYS51, LEU57, ALA70, TYR90, PRO100, LEU116 and 12 more
  • 2Z7S · Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A · P01 A1 · binds LEU68, GLY69, VAL76, ALA92, VAL125, LEU141, ASP142, PHE143 and 7 more
  • 1YOM · Crystal structure of src kinase domain in complex with purvalanol a · P01 A1 · binds LEU275, GLY276, GLN277, VAL283, ALA295, LYS297, VAL325, THR340 and 10 more
  • 2IZU · Structure of casein kinase gamma 3 in complex with inhibitor · P01 A1335 · binds ILE49, GLY50, CYS51, LEU57, ALA70, TYR90, PRO100, LEU116 and 12 more
  • 2Z7S · Crystal structure of the N-terminal kinase domain of human RSK1 bound to purvalnol a · P01 A1 · binds LEU68, GLY69, VAL76, ALA92, VAL125, LEU141, ASP142, PHE143 and 7 more

Residues it binds most

LEU 8, GLY 8, ALA 8, VAL 6, GLU 8, LYS 4, PRO 2, THR 8, ASP 4, SER 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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