| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform |
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| Ligand | BDBM50598034 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2225466 (CHEMBL5138979) |
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| IC50 | 158±n/a nM |
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| Citation |  Fairhurst, RA; Furet, P; Imbach-Weese, P; Stauffer, F; Rueeger, H; McCarthy, C; Ripoche, S; Oswald, S; Arnaud, B; Jary, A; Maira, M; Schnell, C; Guthy, DA; Wartmann, M; Kiffe, M; Desrayaud, S; Blasco, F; Widmer, T; Seiler, F; Gutmann, S; Knapp, M; Caravatti, G Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J Med Chem65:8345-8379 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform |
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| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform |
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| Synonyms: | PI3-kinase subunit alpha | PI3K-alpha | PI3Kalpha | PK3CA_RAT | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha | Phosphoinositide-3-kinase catalytic alpha polypeptide | Pik3ca | PtdIns-3-kinase subunit alpha | PtdIns-3-kinase subunit p110-alpha | Serine/threonine protein kinase PIK3CA | p110alpha |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 124363.80 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | A0A0G2K344 |
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| Residue: | 1068 |
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| Sequence: | MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLVTIKHELFKEARKYPLHQ
LLQDESSYIFVSVTQEAEREEFFDETRRLCDLRLFQPFLKVIEPVGNREEKILNREIGFV
IGMPVCEFDMVKDPEVQDFRRNILNVCKEAVDLRDLNSPHSRAMYVYPPNVESSPELPKH
IYNKLDKGQIIVVIWVIVSPNNDKQKYTLKINHDCVPEQVIAEAIRKKTRSMLLSSEQLK
LCVLEYQGKYILKVCGCDEYFLEKYPLSQYKYIRSCIMLGRMPNLMLMAKESLYSQLPID
SFTMPSYSRRISTATPYMNGETATKSLWVINSALRIKILCATYVNVNIRDIDKIYVRTGI
YHGGEPLCDNVNTQRVPCSNPRWNEWLNYDIYIPDLPRAARLCLSICSVKGRKGAKEEHC
PLAWGNINLFDYTDTLVSGKMALNLWPVPHGLEDLLNPIGVTGSNPNKETPCLELEFDWF
SSVVKFPDMSVIEEHANWSVSREAGFSYSHTGLSNRLARDNELRENDKEQLRALCTRDPL
SEITEQEKDFLWSHRHYCVTIPEILPKLLLSVKWNSRDEVAQMYCLVKDWPPIKPEQAME
LLDCNYPDPMVRSFAVRCLEKYLTDDKLSQYLIQLVQVLKYEQYLDNLLVRFLLKKALTN
QRIGHFFFWHLKSEMHNKTVSQRFGLLLESYCRACGMYLKHLNRQVEAMEKLINLTDILK
QEKKDETQKVQMKFLVEQMRQPDFMDALQGFLSPLNPAHQLGNLRLEECRIMSSAKRPLW
LNWENPDIMSELLFQNNEIIFKNGDDLRQDMLTLQIIRIMENIWQNQGLDLRMLPYGCLS
IGDCVGLIEVVRNSHTIMQIQCKGGLKGALQFNSHTLHQWLKDKNKGEIYDAAIDLFTRS
CAGYCVATFILGIGDRHNSNIMVKDDGQLFHIDFGHFLDHKKKKFGYKRERVPFVLTQDF
LIVISKGAQEYTKTREFERFQEMCYKAYLAIRQHANLFINLFSMMLGSGMPELQSFDDIA
YIRKTLALDKTEQEALEYFTKQMNDAHHGGWTTKMDWIFHTIKQHALN
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| BDBM50598034 |
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| n/a |
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| Name | BDBM50598034 |
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| Synonyms: | CHEMBL5181180 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18F3N7O4 |
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| Mol. Mass. | 441.3645 |
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| SMILES | Nc1ncc(-c2cc(nc(n2)N2C[C@H](CO)OC2=O)N2CCOCC2)c(n1)C(F)(F)F |r| |
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| Structure | 
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