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3apd
From Proteopedia
| 3apd, resolution 2.55Å () | |
|---|---|
| Ligands: | , |
| Gene: | PIK3CG (Homo sapiens) |
| Activity: | Phosphatidylinositol-4,5-bisphosphate 3-kinase, with EC number 2.7.1.153 |
| Related: | 3apc, 3apf
|
| Resources: | FirstGlance, OCA, PDBsum, RCSB |
| Coordinates: | save as pdb, mmCIF, xml |
Contents |
Crystal structure of human PI3K-gamma in complex with CH5108134
Phosphatidylinositol 3-kinase (PI3K) is a lipid kinase and a promising therapeutic target for cancer. Using structure-based drug design (SBDD), we have identified novel PI3K inhibitors with a dihydropyrrolopyrimidine skeleton. Metabolic stability of the first lead series was drastically improved by replacing phenol with aminopyrimidine moiety. CH5132799, a novel class I PI3K inhibitor, exhibited a strong inhibitory activity especially against PI3Kalpha (IC(50)=0.014muM). In human tumor cell lines with PI3K pathway activation, CH5132799 showed potent antiproliferative activity. CH5132799 is orally available and showed significant antitumor activity in PI3K pathway-activated human cancer xenograft models in mice.
Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799., Ohwada J, Ebiike H, Kawada H, Tsukazaki M, Nakamura M, Miyazaki T, Morikami K, Yoshinari K, Yoshida M, Kondoh O, Kuramoto S, Ogawa K, Aoki Y, Shimma N, Bioorg Med Chem Lett. 2011 Mar 15;21(6):1767-72. Epub 2011 Jan 22. PMID:21316229
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
3apd is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.
See Also
Reference
- Ohwada J, Ebiike H, Kawada H, Tsukazaki M, Nakamura M, Miyazaki T, Morikami K, Yoshinari K, Yoshida M, Kondoh O, Kuramoto S, Ogawa K, Aoki Y, Shimma N. Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799. Bioorg Med Chem Lett. 2011 Mar 15;21(6):1767-72. Epub 2011 Jan 22. PMID:21316229 doi:10.1016/j.bmcl.2011.01.065
