Reaction Details Report a problem with these data
Target
Phosphatidylinositol 3-kinase catalytic subunit type 3
Ligand
BDBM50597817
Substrate
n/a
Meas. Tech.
ChEMBL_2224477 (CHEMBL5137990)
IC50
1.7±n/a nM
Citation
 Hu, DX; Patel, S; Chen, H; Wang, S; Staben, ST; Dimitrova, YN; Wallweber, HA; Lee, JY; Chan, GKY; Sneeringer, CJ; Prangley, MS; Moffat, JG; Wu, KC; Schutt, LK; Salphati, L; Pang, J; McNamara, E; Huang, H; Chen, Y; Wang, Y; Zhao, W; Lim, J; Murthy, A; Siu, M Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J Med Chem 65:11500-11512 (2022) [PubMed] 
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:
BDBM50597817
Synonyms:
CHEMBL5192406
Type:
Small organic molecule
Emp. Form.:
C20H13F2N5O2S
Mol. Mass.:
425.411
SMILES:
NC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
Structure:
Search PDB for entries with ligand similarity: