Target
Phosphatidylinositol 3-kinase catalytic subunit type 3
Ligand
BDBM50571454
Substrate
n/a
Meas. Tech.
ChEMBL_2114760 (CHEMBL4823701)
Ki
49±n/a nM
Citation
 Van de Poël, AToledo-Sherman, LBreccia, PCachope, RBate, JRAngulo-Herrera, IWishart, GMatthews, KLMartin, SLPeacock, MBarnard, ACox, HCJones, GMcAllister, GVater, HEsmieu, WClissold, CLamers, MLeonard, PJarvis, REBlackaby, WEznarriaga, MLazari, OYates, DRose, MJang, SWMuñoz-Sanjuan, IDominguez, C Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease. J Med Chem 64:5018-5036 (2021) [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:
BDBM50571454
Synonyms:
CHEMBL4873551
Type:
Small organic molecule
Emp. Form.:
C20H25N3O2
Mol. Mass.:
339.4314
SMILES:
O=c1cc(cc([nH]1)N1CCCC1Cc1ccccc1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: