Reaction Details
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
Ligand
BDBM602682
Substrate
n/a
Meas. Tech.
PI3K-Alpha Kinase (PIK3CA) Activity, Wild-Type and H1047R Mutant and Determining IC50 Values for Inhibitors
IC50
<500±n/a nM
Citation
ANDERSON, ED; ARONOW, SD; BOYLES, NA; DAHLGREN, MK; FENG, S; GERASYUTO, AI; HICKEY, ER; IRVIN, TC; KESICKI, EA; KLIPPEL-GIESE, A; KNIGHT, JL; KOLAKOWSKI, GR; KUMAR, M; LONG, KF; MAYNE, CG; MCELLIGOTT, DL; MCLEAN, JA; PUCA, L; RAVI, KK; SEVERANCE, DL; WELCH, MB; WIDJAJA, T ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE US Patent US20230286960 Publication Date 9/14/2023 More Info.:
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
Synonyms:
PIK3CA | PK3CA_HUMAN | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform mutant | Phosphoinositide 3-Kinase (PI3K), alpha Mutant (H1047R) Chain A
Type:
Catalytic subunit
Mol. Mass.:
124314.42
Organism:
Homo sapiens (Human)
Description:
P42336 H1047R
Residue:
1068
Sequence:
MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDARHGGWTTKMDWIFHTIKQHALN
Inhibitor
Name:
BDBM602682
Synonyms:
2-Chloro-5-[1-(2-isoindolin-2-yl- 6-methyl-4-oxo-chromen-8- yl)ethylamino]thiazole-4- carboxylic acid 2,2,2- trifluoroacetic acid | US11649227, Example 245 | US20230286960, Example 245
Type:
Small organic molecule
Emp. Form.:
C24H20ClN3O4S
Mol. Mass.:
481.951
SMILES:
CC(Nc1sc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1
Structure:
