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Target
Wee1-like protein kinase
Ligand
BDBM50522507
Substrate
n/a
Meas. Tech.
ChEMBL_1886839 (CHEMBL4388516)
EC50
29±n/a nM
Citation
 Mastracchio, A; Lai, C; Torrent, M; Bromberg, K; Buchanan, FG; Ferguson, D; Bontcheva, V; Johnson, EF; Lasko, L; Maag, D; Shoemaker, AR; Penning, TD Investigation of biaryl heterocycles as inhibitors of Wee1 kinase. Bioorg Med Chem Lett 29:1481-1486 (2019) [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:
BDBM50522507
Synonyms:
CHEMBL4470852
Type:
Small organic molecule
Emp. Form.:
C25H21Cl2N5O
Mol. Mass.:
478.373
SMILES:
CN1Cc2cc(Nc3ncc4c(n3)[nH]cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(6.16,-33.18,;7.5,-32.41,;8.83,-33.19,;10.16,-32.42,;11.48,-33.18,;12.81,-32.42,;14.15,-33.19,;15.48,-32.41,;15.48,-30.88,;16.8,-30.11,;18.15,-30.88,;18.14,-32.42,;16.81,-33.19,;19.47,-33.18,;20.87,-32.43,;20.81,-30.88,;22.14,-30.09,;22.1,-28.56,;20.75,-27.82,;23.42,-27.77,;24.77,-28.52,;24.8,-30.06,;23.47,-30.85,;23.49,-32.39,;19.48,-30.1,;19.48,-28.56,;12.81,-30.87,;11.48,-30.11,;10.16,-30.88,;8.83,-30.11,;8.05,-28.77,;9.6,-28.77,;7.5,-30.88,)|
Structure:
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