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Target
Wee1-like protein kinase
Ligand
BDBM50522501
Substrate
n/a
Meas. Tech.
ChEMBL_1886838 (CHEMBL4388515)
Ki
24±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:
BDBM50522501
Synonyms:
CHEMBL4450036
Type:
Small organic molecule
Emp. Form.:
C28H31Cl2N7O
Mol. Mass.:
552.498
SMILES:
CN(C)CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |(20.63,-22.09,;19.3,-21.3,;19.32,-19.76,;17.96,-22.06,;16.63,-21.27,;16.65,-19.73,;18.04,-18.98,;17.99,-17.43,;19.32,-16.64,;19.28,-15.11,;17.93,-14.37,;20.6,-14.32,;21.95,-15.07,;21.97,-16.61,;20.65,-17.4,;20.67,-18.94,;16.66,-16.65,;16.66,-15.11,;15.33,-17.43,;13.98,-16.66,;12.66,-17.43,;12.66,-18.97,;11.33,-19.74,;10,-18.97,;8.66,-19.73,;7.34,-18.97,;7.34,-17.43,;8.66,-16.66,;9.99,-17.43,;6,-16.65,;6.01,-15.11,;4.69,-14.33,;3.34,-15.09,;2.01,-14.31,;3.33,-16.64,;4.67,-17.42,;13.99,-19.74,;15.32,-18.97,)|
Structure:
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