Ki Summary

Reaction Details

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Target

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

Ligand

BDBM50433030

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_955790 (CHEMBL2379607)

2.4±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

BDBM50433030

n/a

Name

BDBM50433030

Synonyms:

CHEMBL2376093

Type

Small organic molecule

Emp. Form.

C20H24N6O4

Mol. Mass.

412.4424

SMILES

COc1ncc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O |r,wD:19.20,22.27,(52.42,-2.69,;51.08,-1.92,;49.75,-2.69,;49.75,-4.23,;48.41,-4.99,;47.08,-4.21,;47.08,-2.68,;48.41,-1.91,;45.74,-4.97,;44.39,-4.19,;43.06,-4.97,;41.72,-4.21,;41.72,-2.67,;40.39,-4.98,;40.39,-6.52,;39.06,-7.29,;41.72,-7.29,;43.05,-6.52,;44.39,-7.3,;44.38,-8.84,;45.71,-9.6,;45.7,-11.15,;44.36,-11.91,;43.04,-11.13,;43.04,-9.6,;44.35,-13.45,;43.01,-14.21,;41.69,-13.43,;45.74,-6.53,;47.07,-7.3,)|

Structure