| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphatidylinositol 3-kinase catalytic subunit type 3 |
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| Ligand | BDBM50571473 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2114760 (CHEMBL4823701) |
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| Ki | 750±n/a nM |
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| Citation |  Van de Poël, A; Toledo-Sherman, L; Breccia, P; Cachope, R; Bate, JR; Angulo-Herrera, I; Wishart, G; Matthews, KL; Martin, SL; Peacock, M; Barnard, A; Cox, HC; Jones, G; McAllister, G; Vater, H; Esmieu, W; Clissold, C; Lamers, M; Leonard, P; Jarvis, RE; Blackaby, W; Eznarriaga, M; Lazari, O; Yates, D; Rose, M; Jang, SW; Muñoz-Sanjuan, I; Dominguez, C Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease. J Med Chem64:5018-5036 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Phosphatidylinositol 3-kinase catalytic subunit type 3 |
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| Name: | Phosphatidylinositol 3-kinase catalytic subunit type 3 |
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| Synonyms: | BC033004 | PI3K type 3 | PIK3C3 | PK3C3_HUMAN | Phosphatidylinositol 3-kinase catalytic subunit type 3 (PIK3C3) | Phosphatidylinositol 3-kinase p100 subunit | Phosphoinositide 3-Kinase (PI3K), Vps34 | Phosphoinositide-3-kinase class 3 | PtdIns-3-kinase type 3 | VPS34 | hVPS34 |
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| Type: | Enzyme |
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| Mol. Mass.: | 101551.30 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant human Vps34 protein was expressed as monomeric GST-fusion and purified. |
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| Residue: | 887 |
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| Sequence: | MGEAEKFHYIYSCDLDINVQLKIGSLEGKREQKSYKAVLEDPMLKFSGLYQETCSDLYVT
CQVFAEGKPLALPVRTSYKAFSTRWNWNEWLKLPVKYPDLPRNAQVALTIWDVYGPGKAV
PVGGTTVSLFGKYGMFRQGMHDLKVWPNVEADGSEPTKTPGRTSSTLSEDQMSRLAKLTK
AHRQGHMVKVDWLDRLTFREIEMINESEKRSSNFMYLMVEFRCVKCDDKEYGIVYYEKDG
DESSPILTSFELVKVPDPQMSMENLVESKHHKLARSLRSGPSDHDLKPNAATRDQLNIIV
SYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFLKCVNWDLPQEAKQALELLGKWKPMDV
EDSLELLSSHYTNPTVRRYAVARLRQADDEDLLMYLLQLVQALKYENFDDIKNGLEPTKK
DSQSSVSENVSNSGINSAEIDSSQIITSPLPSVSSPPPASKTKEVPDGENLEQDLCTFLI
SRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQALLKGDKSVRVMRS
LLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPLPLEPQVK
IRGIIPETATLFKSALMPAQLFFKTEDGGKYPVIFKHGDDLRQDQLILQIISLMDKLLRK
ENLDLKLTPYKVLATSTKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISAE
VMDTYVKSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRDPKPLPPPMKLN
KEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNLFSLMVDANIPDIALEPDKTVK
KVQDKFRLDLSDEEAVHYMQSLIDESVHALFAAVVEQIHKFAQYWRK
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| BDBM50571473 |
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| n/a |
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| Name | BDBM50571473 |
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| Synonyms: | CHEMBL4856420 | US11685734, Example 39 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H27N3O2 |
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| Mol. Mass. | 365.4687 |
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| SMILES | [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r| |
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| Structure | 
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