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Target
Phosphatidylinositol 3-kinase catalytic subunit type 3
Ligand
BDBM50506323
Substrate
n/a
Meas. Tech.
ChEMBL_1825527 (CHEMBL4325291)
Kd
2.0±n/a nM
Citation
 Henley, ZA; Amour, A; Barton, N; Bantscheff, M; Bergamini, G; Bertrand, SM; Convery, M; Down, K; Dümpelfeld, B; Edwards, CD; Grandi, P; Gore, PM; Keeling, S; Livia, S; Mallett, D; Maxwell, A; Price, M; Rau, C; Reinhard, FBM; Rowedder, J; Rowland, P; Taylor, JA; Thomas, DA; Hessel, EM; Hamblin, JN Optimization of Orally Bioavailable PI3K? Inhibitors and Identification of Vps34 as a Key Selectivity Target. J Med Chem 63:638-655 (2020) [PubMed]  Article 
Target
Name:
Phosphatidylinositol 3-kinase catalytic subunit type 3
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
Type:
Enzyme
Mol. Mass.:
101551.30
Organism:
Homo sapiens (Human)
Description:
Recombinant human Vps34 protein was expressed as monomeric GST-fusion and purified.
Residue:
887
Sequence:
MGEAEKFHYIYSCDLDINVQLKIGSLEGKREQKSYKAVLEDPMLKFSGLYQETCSDLYVTCQVFAEGKPLALPVRTSYKAFSTRWNWNEWLKLPVKYPDLPRNAQVALTIWDVYGPGKAVPVGGTTVSLFGKYGMFRQGMHDLKVWPNVEADGSEPTKTPGRTSSTLSEDQMSRLAKLTKAHRQGHMVKVDWLDRLTFREIEMINESEKRSSNFMYLMVEFRCVKCDDKEYGIVYYEKDGDESSPILTSFELVKVPDPQMSMENLVESKHHKLARSLRSGPSDHDLKPNAATRDQLNIIVSYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFLKCVNWDLPQEAKQALELLGKWKPMDVEDSLELLSSHYTNPTVRRYAVARLRQADDEDLLMYLLQLVQALKYENFDDIKNGLEPTKKDSQSSVSENVSNSGINSAEIDSSQIITSPLPSVSSPPPASKTKEVPDGENLEQDLCTFLISRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQALLKGDKSVRVMRSLLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPLPLEPQVKIRGIIPETATLFKSALMPAQLFFKTEDGGKYPVIFKHGDDLRQDQLILQIISLMDKLLRKENLDLKLTPYKVLATSTKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISAEVMDTYVKSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRDPKPLPPPMKLNKEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNLFSLMVDANIPDIALEPDKTVKKVQDKFRLDLSDEEAVHYMQSLIDESVHALFAAVVEQIHKFAQYWRK
  
Inhibitor
Name:
BDBM50506323
Synonyms:
CHEMBL4556087
Type:
Small organic molecule
Emp. Form.:
C25H35N3O6S
Mol. Mass.:
505.627
SMILES:
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
Structure:
Search PDB for entries with ligand similarity: