3PS6: Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors

Citation:
Abstract
Intra-molecular hydrogen bonding was introduced to the quinazoline motif to form a pseudo ring (intra-molecular H-bond scaffold, iMHBS) to mimic our previous published core structures, pyrido[2.3-D]pyrimidin-7-one and pteridinone, as PI3K/mTOR dual inhibitors. This design results in potent PI3K/mTOR dual inhibitors and the purposed intra-molecular hydrogen bonding structure is well supported by co-crystal structure in PI3Kgamma enzyme. In addition, a novel synthetic route was developed for these analogs.
PDB ID: 3PS6Download
MMDB ID: 88567
PDB Deposition Date: 2010/11/30
Updated in MMDB: 2011/05
Experimental Method:
x-ray diffraction
Resolution: 2.6  Å
Source Organism:
Similar Structures:
Biological Unit for 3PS6: monomeric; determined by author and by software (PISA)
Molecular Components in 3PS6
Label Count Molecule
Protein (1 molecule)
1
Phosphatidylinositol-4,5-bisphosphate 3-kinase Catalytic Subunit Gamma Isoform(Gene symbol: PIK3CG)
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

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