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Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]
Ligand
BDBM602684
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 US11649227 Publication Date 5/16/2023
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:
Human
Description:
P42336 H1047R
Residue:
1068
Sequence:
MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELFKEARKYPLHQLLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFAIGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKHIYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLKLCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPMDCFTMPSYSRRISTATPYMNGETSTKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGIYHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHCPLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWFSSVVKFPDMSVIEEHANWSVSREAGFSYSHAGLSNRLARDNELRENDKEQLKAISTRDPLSEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAMELLDCNYPDPMVRGFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTNQRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILKQEKKDETQKVQMKFLVEQMRRPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLWLNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLSIGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRSCAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDFLIVISKGAQECTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIAYIRKTLALDKTEQEALEYFMKQMNDARHGGWTTKMDWIFHTIKQHALN
Inhibitor
Name:
BDBM602684
Synonyms:
6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)-6-methyl-4- oxo-chromen-8- yl]lethyl]amino]pyridine-2- carboxylic acid | US11649227, Example 256 | US20230286960, Example 256
Type:
Small organic molecule
Emp. Form.:
C25H28ClN3O4
Mol. Mass.:
469.961
SMILES:
C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r|