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Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligand
BDBM50598026
Substrate
n/a
Meas. Tech.
ChEMBL_2225467 (CHEMBL5138980)
IC50
1580±n/a nM
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 Chem 65:8345-8379 (2022) [PubMed] 
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Synonyms:
PI3-kinase subunit beta | PI3K-beta | PI3Kbeta | PK3CB_RAT | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit beta | Pik3cb | PtdIns-3-kinase subunit beta | PtdIns-3-kinase subunit p110-beta | p110beta
Type:
Enzyme Catalytic Domain
Mol. Mass.:
122616.58
Organism:
Rattus norvegicus (Rat)
Description:
Q9Z1L0
Residue:
1070
Sequence:
MCFRSIMPPAMADTLDIWAVDSQIASDGSISVDFLLPTGIYIQLEVPREATISYIKQMLWKQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPAEKLDSKIGVLIGKGLHEFDALKDPEVNEFRRKMRKFSEDKIQSLVGLSWIDWLKHTYPPEHEPSVLENLEDKLYGGKLVVAVHFENSQDVFSFQVSPNLNPIKINELAIQKRLTIRGKEEEASPCDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRTLPHFILVECCKIKKMYEQEMIAIEAAINRNSSSLPLPLPPKKTRVISHVWGNNNPFQIVLVKGNKLNTEETVKVHVRAGLFHGTELLCKTVVSSEISGKNDHIWNEQLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTINPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRSGDVILHSWSSFPDELEEMLNPMGTVQTNPYAENATALHIKFPENKKQPYYYPPFDKIIEKAAEIASGDSANVSSRGGKKFLAVLKEILDRDPLSQLCENEMDLIWTLRQDCRENFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPKLPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFLLERALDNRRIGQFLFWHLRSEVHTPAVSIQFGVILEAYCRGSVGHMKVLSKQVEALNKLKTLNSLIKLNAMKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCRYMDSKMKPLWLVYSNRAFGEDAVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYGCLATGDRSGLIEVVSTSETIADIQLNSSNVAATAAFNKDALLNWLKEYNSGDDLDRAIEEFTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFILTYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKDIQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
  
Inhibitor
Name:
BDBM50598026
Synonyms:
CHEMBL5192317
Type:
Small organic molecule
Emp. Form.:
C23H22F3N7O2
Mol. Mass.:
485.4617
SMILES:
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCN(C1=O)c1ccccc1)C(F)(F)F
Structure:
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