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TitleIdentification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 5152-, Year 2009
Publish dateMay 13, 2009 (structure data deposition date)
AuthorsBrasca, M.G. / Amboldi, N. / Ballinari, D. / Cameron, A.D. / Casale, E. / Cervi, G. / Colombo, M. / Colotta, F. / Croci, V. / Dalessio, R. ...Brasca, M.G. / Amboldi, N. / Ballinari, D. / Cameron, A.D. / Casale, E. / Cervi, G. / Colombo, M. / Colotta, F. / Croci, V. / Dalessio, R. / Fiorentini, F. / Isacchi, A. / Mercurio, C. / Moretti, W. / Panzeri, A. / Pastori, W. / Pevarello, P. / Quartieri, F. / Roletto, F. / Traquandi, G. / Vianello, P. / Vulpetti, A. / Ciomei, M.
External linksJ. Med. Chem. / PubMed:19603809
MethodsX-ray diffraction
Resolution2.5 - 2.8 Å
Structure data

PDB-2wih:
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2wip:
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-P48:
N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-P49:
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CELL CYCLE / ATP-BINDING / POLYMORPHISM / PHOSPHORYLATION / NUCLEOTIDE-BINDING / CELL DIVISION / SERINE/THREONINE-PROTEIN 2 KINASE / PHOSPHOPROTEIN / SERINE/THREONINE-PROTEIN KINASE / MITOSIS / PROTEIN KINASE / KINASE / CYCLIN / NUCLEUS / CYTOPLASM

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