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TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
LigandBDBM50433041
Substrate/Competitorn/a
Meas. Tech.ChEMBL_955790 (CHEMBL2379607)
Ki 25±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:
BDBM50433041
n/a
NameBDBM50433041
Synonyms:CHEMBL2375960 | US8633204, 306
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,wD:8.7,11.14,(54.57,-30.85,;54.57,-32.39,;53.24,-33.16,;53.24,-34.71,;51.91,-35.48,;54.58,-35.48,;55.9,-34.71,;57.24,-35.49,;57.24,-37.03,;58.57,-37.79,;58.56,-39.34,;57.22,-40.1,;55.89,-39.32,;55.9,-37.79,;57.21,-41.64,;55.87,-42.4,;54.54,-41.63,;53.2,-42.39,;54.55,-40.09,;58.59,-34.72,;59.92,-35.49,;58.59,-33.16,;57.25,-32.38,;55.91,-33.16,;59.93,-32.4,;61.32,-33.04,;62.36,-31.91,;61.61,-30.57,;62.24,-29.17,;60.1,-30.88,)|
Structure
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