Reaction Details Report a problem with these data
Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligand
BDBM50380363
Substrate
n/a
Meas. Tech.
ChEMBL_1669392 (CHEMBL4019280)
Kd
36±n/a nM
Citation
 Beaufils, F; Cmiljanovic, N; Cmiljanovic, V; Bohnacker, T; Melone, A; Marone, R; Jackson, E; Zhang, X; Sele, A; Borsari, C; Mestan, J; Hebeisen, P; Hillmann, P; Giese, B; Zvelebil, M; Fabbro, D; Williams, RL; Rageot, D; Wymann, MP 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology. J Med Chem 60:7524-7538 (2017) [PubMed]  Article 
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Synonyms:
PI3-kinase p110 subunit beta | PI3-kinase subunit p110-beta | PI3Kbeta | PIK3C1 | PIK3CB | PK3CB_HUMAN | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta (PI3Kbeta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3K beta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3K-beta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3Kbeta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3Kÿ²) | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta isoform | Phosphoinositide 3-Kinase (PI3K), beta | Phosphoinositide 3-Kinase (PI3K), beta Chain A | Phosphoinositide-3-kinase (PI3K beta) | PtdIns-3-kinase p110
Type:
Enzyme Subunit
Mol. Mass.:
122769.00
Organism:
Homo sapiens (Human)
Description:
P42338
Residue:
1070
Sequence:
MCFSFIMPPAMADILDIWAVDSQIASDGSIPVDFLLPTGIYIQLEVPREATISYIKQMLWKQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPGEKLDSKIGVLIGKGLHEFDSLKDPEVNEFRRKMRKFSEEKILSLVGLSWMDWLKQTYPPEHEPSIPENLEDKLYGGKLIVAVHFENCQDVFSFQVSPNMNPIKVNELAIQKRLTIHGKEDEVSPYDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRALPHFILVECCKIKKMYEQEMIAIEAAINRNSSNLPLPLPPKKTRIISHVWENNNPFQIVLVKGNKLNTEETVKVHVRAGLFHGTELLCKTIVSSEVSGKNDHIWNEPLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTINPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRTGDIILHSWSSFPDELEEMLNPMGTVQTNPYTENATALHVKFPENKKQPYYYPPFDKIIEKAAEIASSDSANVSSRGGKKFLPVLKEILDRDPLSQLCENEMDLIWTLRQDCREIFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPKLPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFLLERALGNRRIGQFLFWHLRSEVHIPAVSVQFGVILEAYCRGSVGHMKVLSKQVEALNKLKTLNSLIKLNAVKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCKYMDSKMKPLWLVYNNKVFGEDSVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYGCLATGDRSGLIEVVSTSETIADIQLNSSNVAAAAAFNKDALLNWLKEYNSGDDLDRAIEEFTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFILTYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKDIQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
  
Inhibitor
Name:
BDBM50380363
Synonyms:
CHEMBL2017974 | US10173995, Compound 1
Type:
Small organic molecule
Emp. Form.:
C18H21F3N6O2
Mol. Mass.:
410.3935
SMILES:
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: