Reaction Details |
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Target | Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
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Ligand | BDBM368626 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1985630 (CHEMBL4619036) |
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IC50 | 10.00±n/a nM |
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Citation | Perreault, S; Arjmand, F; Chandrasekhar, J; Hao, J; Keegan, KS; Koditek, D; Lepist, EI; Matson, CK; McGrath, ME; Patel, L; Sedillo, K; Therrien, J; Till, NA; Tomkinson, A; Treiberg, J; Zherebina, Y; Phillips, G Discovery of an Atropisomeric PI3K? Selective Inhibitor through Optimization of the Hinge Binding Motif. ACS Med Chem Lett11:1236-1243 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
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Name: | Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
Synonyms: | PI3-kinase subunit p110 beta/p85 alpha | PI3K p110 beta/p85 alpha | PI3K p110beta/p85alpha (Human) | Phosphoinositide 3-Kinase (PI3K), beta | p110β/p85α | p110beta/p85alpha |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
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: | MCFSFIMPPAMADILDIWAVDSQIASDGSIPVDFLLPTGIYIQLEVPREATISYIKQMLW
KQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPGE
KLDSKIGVLIGKGLHEFDSLKDPEVNEFRRKMRKFSEEKILSLVGLSWMDWLKQTYPPEH
EPSIPENLEDKLYGGKLIVAVHFENCQDVFSFQVSPNMNPIKVNELAIQKRLTIHGKEDE
VSPYDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRALPHFILVECCKIKKMYEQEMIAI
EAAINRNSSNLPLPLPPKKTRIISHVWENNNPFQIVLVKGNKLNTEETVKVHVRAGLFHG
TELLCKTIVSSEVSGKNDHIWNEPLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTI
NPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRTGDIILHSWSSFPDELEEMLNPMGTVQ
TNPYTENATALHVKFPENKKQPYYYPPFDKIIEKAAEIASSDSANVSSRGGKKFLPVLKE
ILDRDPLSQLCENEMDLIWTLRQDCREIFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPK
LPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFL
LERALGNRRIGQFLFWHLRSEVHIPAVSVQFGVILEAYCRGSVGHMKVLSKQVEALNKLK
TLNSLIKLNAVKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCKYMD
SKMKPLWLVYNNKVFGEDSVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYG
CLATGDRSGLIEVVSTSETIADIQLNSSNVAAAAAFNKDALLNWLKEYNSGDDLDRAIEE
FTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFIL
TYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKD
IQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
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Component 2 |
Name: | Phosphatidylinositol 3-kinase regulatory subunit alpha |
Synonyms: | GRB1 | P85A_HUMAN | PI3-kinase class I | PI3-kinase p85 subunit alpha | PI3-kinase p85-alpha subunit | PI3-kinase p85-subunit alpha | PI3-kinase subunit p85-alpha | PI3K | PIK3CG/PIK3R1 | PIK3R1 | Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha (PI3K alpha) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PI3K p85-alpha) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3R1) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3RI) | Phosphatidylinositol 3-kinase regulatory subunit alpha isoform 1 (PI3 Kinase alpha) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3Kalpha p85alpha) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3Kalpha) | Phosphoinositide 3-Kinase (PI3K) Chain B | PtdIns-3-kinase p85-alpha | p84 alpha | p85 alpha |
Type: | Protein |
Mol. Mass.: | 83592.82 |
Organism: | Homo sapiens (Human) |
Description: | P27986 |
Residue: | 724 |
Sequence: | MSAEGYQYRALYDYKKEREEDIDLHLGDILTVNKGSLVALGFSDGQEARPEEIGWLNGYN
ETTGERGDFPGTYVEYIGRKKISPPTPKPRPPRPLPVAPGSSKTEADVEQQALTLPDLAE
QFAPPDIAPPLLIKLVEAIEKKGLECSTLYRTQSSSNLAELRQLLDCDTPSVDLEMIDVH
VLADAFKRYLLDLPNPVIPAAVYSEMISLAPEVQSSEEYIQLLKKLIRSPSIPHQYWLTL
QYLLKHFFKLSQTSSKNLLNARVLSEIFSPMLFRFSAASSDNTENLIKVIEILISTEWNE
RQPAPALPPKPPKPTTVANNGMNNNMSLQDAEWYWGDISREEVNEKLRDTADGTFLVRDA
STKMHGDYTLTLRKGGNNKLIKIFHRDGKYGFSDPLTFSSVVELINHYRNESLAQYNPKL
DVKLLYPVSKYQQDQVVKEDNIEAVGKKLHEYNTQFQEKSREYDRLYEEYTRTSQEIQMK
RTAIEAFNETIKIFEEQCQTQERYSKEYIEKFKREGNEKEIQRIMHNYDKLKSRISEIID
SRRRLEEDLKKQAAEYREIDKRMNSIKPDLIQLRKTRDQYLMWLTQKGVRQKKLNEWLGN
ENTEDQYSLVEDDEDLPHHDEKTWNVGSSNRNKAENLLRGKRDGTFLVRESSKQGCYACS
VVVDGEVKHCVINKTATGYGFAEPYNLYSSLKELVLHYQHTSLVQHNDSLNVTLAYPVYA
QQRR
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BDBM368626 |
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n/a |
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Name | BDBM368626 |
Synonyms: | US10227350, Compound 141 | US10227350, Compound 142 | US10227350, Compound 45 |
Type | Small organic molecule |
Emp. Form. | C25H17F2N7 |
Mol. Mass. | 453.4462 |
SMILES | Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| |
Structure |
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