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Target
Phosphatidylinositol 3-kinase catalytic subunit type 3
Ligand
BDBM50571453
Substrate
n/a
Meas. Tech.
ChEMBL_2114760 (CHEMBL4823701)
Ki
3300±n/a nM
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 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:
BDBM50571453
Synonyms:
CHEMBL4868624
Type:
Small organic molecule
Emp. Form.:
C22H21N3O3S
Mol. Mass.:
407.485
SMILES:
COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(nc(O)n1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: