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Target
Wee1-like protein kinase
Ligand
BDBM50043636
Substrate
n/a
Meas. Tech.
ChEMBL_1445052 (CHEMBL3372984)
Ki
87±n/a nM
Citation
 Tong, Y; Torrent, M; Florjancic, AS; Bromberg, KD; Buchanan, FG; Ferguson, DC; Johnson, EF; Lasko, LM; Maag, D; Merta, PJ; Olson, AM; Osterling, DJ; Soni, N; Shoemaker, AR; Penning, TD Pyrimidine-based tricyclic molecules as potent and orally efficacious inhibitors of wee1 kinase. ACS Med Chem Lett 6:58-62 (2015) [PubMed]  Article 
Target
Name:
Wee1-like protein kinase
Synonyms:
Serine/threonine-protein kinase WEE1 | WEE1 | WEE1 homolog (S. pombe) | WEE1_HUMAN
Type:
PROTEIN
Mol. Mass.:
71599.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1445054
Residue:
646
Sequence:
MSFLSRQQPPPPRRAGAACTLRQKLIFSPCSDCEEEEEEEEEEGSGHSTGEDSAFQEPDSPLPPARSPTEPGPERRRSPGPAPGSPGELEEDLLLPGACPGADEAGGGAEGDSWEEEGFGSSSPVKSPAAPYFLGSSFSPVRCGGPGDASPRGCGARRAGEGRRSPRPDHPGTPPHKTFRKLRLFDTPHTPKSLLSKARGIDSSSVKLRGSSLFMDTEKSGKREFDVRQTPQVNINPFTPDSLLLHSSGQCRRRKRTYWNDSCGEDMEASDYELEDETRPAKRITITESNMKSRYTTEFHELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDEQNALREVYAHAVLGQHSHVVRYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSMSLVHMDIKPSNIFISRTSIPNAASEEGDEDDWASNKVMFKIGDLGHVTRISSPQVEEGDSRFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQEFTELLKVMIHPDPERRPSAMALVKHSVLLSASRKSAEQLRIELNAEKFKNSLLQKELKKAQMAKAAAEERALFTDRMATRSTTQSNRTSRLIGKKMNRSVSLTIY
  
Inhibitor
Name:
BDBM50043636
Synonyms:
CHEMBL3355521
Type:
Small organic molecule
Emp. Form.:
C26H23ClN6O
Mol. Mass.:
470.953
SMILES:
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O |(45.96,-2.98,;44.63,-3.76,;43.3,-2.99,;41.97,-3.76,;41.97,-5.31,;43.3,-6.08,;44.64,-5.31,;45.97,-6.08,;45.97,-7.62,;44.84,-8.64,;45.45,-10.04,;46.97,-9.88,;47.29,-8.39,;48.62,-7.63,;49.95,-8.4,;51.29,-7.64,;52.62,-8.41,;52.62,-9.95,;51.28,-10.71,;51.28,-12.25,;52.61,-13.03,;53.95,-12.25,;53.95,-10.72,;52.61,-14.56,;51.27,-15.33,;51.27,-16.86,;52.6,-17.64,;53.93,-16.87,;53.94,-15.33,;51.29,-6.09,;49.96,-5.32,;48.63,-6.09,;47.3,-5.31,;47.3,-3.77,)|
Structure:
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