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Target
Wee1-like protein kinase
Ligand
BDBM50043641
Substrate
n/a
Meas. Tech.
ChEMBL_1445052 (CHEMBL3372984)
Ki
>3140±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:
BDBM50043641
Synonyms:
CHEMBL3355526
Type:
Small organic molecule
Emp. Form.:
C25H23ClN8O
Mol. Mass.:
486.956
SMILES:
CN1CCN(CC1)c1ccccc1Nc1ncc2c(n1)n1ccnc1n(-c1ccccc1Cl)c2=O |(55.97,-25.47,;54.64,-26.24,;54.63,-27.78,;53.3,-28.54,;51.97,-27.77,;51.96,-26.23,;53.3,-25.47,;50.64,-28.55,;50.64,-30.08,;49.3,-30.86,;47.97,-30.08,;47.97,-28.54,;49.31,-27.78,;49.31,-26.24,;47.98,-25.47,;47.98,-23.92,;46.65,-23.15,;45.32,-23.91,;45.31,-25.46,;46.64,-26.23,;43.98,-26.22,;43.66,-27.71,;42.14,-27.87,;41.53,-26.47,;42.67,-25.45,;42.66,-23.91,;41.33,-23.14,;39.99,-23.91,;38.65,-23.14,;38.66,-21.59,;39.99,-20.82,;41.32,-21.59,;42.65,-20.81,;43.99,-23.14,;43.99,-21.6,)|
Structure:
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