PP1   Click here for help

GtoPdb Ligand ID: 8836

Synonyms: pyrazolopyrimidine 1
PDB Ligand
Compound class: Synthetic organic
Comment: PP1 is a multi-kinase inhibitor.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 69.62
Molecular weight 281.16
XLogP 3.89
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
Isomeric SMILES Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
1. Bain J, McLauchlan H, Elliott M, Cohen P. (2003)
The specificities of protein kinase inhibitors: an update.
Biochem J, 371 (Pt 1): 199-204. [PMID:12534346]
2. Hanke JH, Gardner JP, Dow RL, Changelian PS, Brissette WH, Weringer EJ, Pollok BA, Connelly PA. (1996)
Discovery of a novel, potent, and Src family-selective tyrosine kinase inhibitor. Study of Lck- and FynT-dependent T cell activation.
J Biol Chem, 271 (2): 695-701. [PMID:8557675]
3. Tatton L, Morley GM, Chopra R, Khwaja A. (2003)
The Src-selective kinase inhibitor PP1 also inhibits Kit and Bcr-Abl tyrosine kinases.
J Biol Chem, 278 (7): 4847-53. [PMID:12475982]
4. Yagi YI, Abe K, Ikebukuro K, Sode K. (2009)
Kinetic mechanism and inhibitor characterization of WNK1 kinase.
Biochemistry, 48 (43): 10255-66. [PMID:19739668]