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TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
LigandBDBM50433035
Substrate/Competitorn/a
Meas. Tech.ChEMBL_955790 (CHEMBL2379607)
Ki 22±n/a nM
Citation Cheng, HHoffman, JELe, PTPairish, MKania, RFarrell, WBagrodia, SYuan, JSun, SZhang, EXiang, CDalvie, DRahavendran, SV Structure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series. Bioorg Med Chem Lett23:2787-92 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Name:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Synonyms:PI3-kinase p110 subunit alpha | PI3-kinase p110-alpha subunit | PI3K | PK3CA_MOUSE | Phosphatidylinositol 3-kinase p110α (p110α) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha) | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Pik3ca | PtdIns-3-kinase p110
Type:Protein
Mol. Mass.:124421.84
Organism:Mus musculus (Mouse)
Description:P42337
Residue:1068
Sequence:
MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLVTIKHELFREARKYPLHQ
LLQDETSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFV
IGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKH
IYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLK
LCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPID
SFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGI
YHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHC
PLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWF
SSVVKFPDMSVIEEHANWSVSREAGFSYSHTGLSNRLARDNELRENDKEQLRALCTRDPL
SEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAME
LLDCNYPDPMVRSFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTN
QRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILK
QEKKDETQKVQMKFLVEQMRQPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLW
LNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLS
IGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRS
CAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDF
LIVISKGAQEYTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIA
YIRKTLALDKTEQEALEYFTKQMNDAHHGGWTTKMDWIFHTIKQHALN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50433035
n/a
NameBDBM50433035
Synonyms:CHEMBL2375954 | US8633204, 313
TypeSmall organic molecule
Emp. Form.C20H25N7O3
Mol. Mass.411.4576
SMILESCc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.35,-45.06,;54.35,-46.6,;53.02,-47.37,;53.02,-48.92,;51.69,-49.69,;54.36,-49.69,;55.69,-48.92,;57.02,-49.7,;57.02,-51.23,;55.68,-52,;55.67,-53.53,;57,-54.31,;58.34,-53.55,;58.35,-52,;56.99,-55.85,;55.65,-56.61,;54.32,-55.83,;52.98,-56.6,;54.33,-54.29,;58.37,-48.93,;59.71,-49.7,;58.38,-47.37,;57.03,-46.59,;55.69,-47.37,;59.71,-46.61,;61.11,-47.25,;62.14,-46.12,;61.39,-44.78,;62.02,-43.38,;59.88,-45.09,)|
Structure
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