Ki Summary

Reaction Details

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Target

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform

Ligand

BDBM50433029

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_955790 (CHEMBL2379607)

14±n/a nM

Citation

Cheng, H; Hoffman, JE; Le, PT; Pairish, M; Kania, R; Farrell, W; Bagrodia, S; Yuan, J; Sun, S; Zhang, E; Xiang, C; Dalvie, D; Rahavendran, 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:

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

BDBM50433029

n/a

Name

BDBM50433029

Synonyms:

CHEMBL2376092

Type

Small organic molecule

Emp. Form.

C18H22N6O3

Mol. Mass.

370.4057

SMILES

Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cn[nH]c1 |r,wD:8.7,11.14,(55.51,-1.14,;55.51,-2.68,;54.18,-3.45,;54.18,-5,;52.85,-5.77,;55.52,-5.77,;56.85,-5,;58.18,-5.78,;58.18,-7.31,;59.51,-8.08,;59.5,-9.63,;58.16,-10.39,;56.83,-9.61,;56.84,-8.08,;58.15,-11.93,;56.81,-12.69,;55.48,-11.91,;59.53,-5.01,;60.86,-5.78,;59.53,-3.45,;58.19,-2.67,;56.85,-3.45,;60.87,-2.69,;62.26,-3.33,;63.3,-2.2,;62.55,-.86,;61.04,-1.17,)|

Structure