Ki Summary

Reaction Details

Report a problem with these data

Target

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

Ligand

BDBM50433049

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_955790 (CHEMBL2379607)

1.000000±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

BDBM50433049

n/a

Name

BDBM50433049

Synonyms:

CHEMBL2375365

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,wU:22.27,wD:19.20,(39.75,-16,;38.42,-15.23,;37.08,-15.99,;37.08,-17.53,;35.75,-18.3,;34.41,-17.52,;34.42,-15.99,;35.74,-15.22,;33.08,-18.28,;31.73,-17.5,;30.39,-18.28,;29.05,-17.51,;29.05,-15.97,;27.73,-18.28,;27.72,-19.83,;26.39,-20.6,;29.06,-20.6,;30.39,-19.83,;31.72,-20.61,;31.72,-22.14,;30.38,-22.91,;30.37,-24.44,;31.7,-25.22,;33.04,-24.46,;33.05,-22.91,;31.69,-26.76,;30.35,-27.52,;29.02,-26.74,;33.07,-19.84,;34.4,-20.61,)|

Structure