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Target
Wee1-like protein kinase
Ligand
BDBM50522509
Substrate
n/a
Meas. Tech.
ChEMBL_1886838 (CHEMBL4388515)
Ki
0.300000±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:
BDBM50522509
Synonyms:
CHEMBL4444364
Type:
Small organic molecule
Emp. Form.:
C27H23Cl2N5O
Mol. Mass.:
504.41
SMILES:
CN1Cc2cc(Nc3ncc4c(n3)c(C=C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(49.96,-42.86,;51.29,-42.09,;52.62,-42.86,;53.95,-42.09,;55.28,-42.86,;56.61,-42.09,;57.94,-42.86,;59.28,-42.09,;59.27,-40.56,;60.59,-39.78,;61.94,-40.55,;61.94,-42.09,;60.61,-42.86,;63.27,-42.86,;63.25,-44.4,;64.57,-45.18,;64.66,-42.1,;64.61,-40.56,;65.93,-39.77,;65.9,-38.24,;64.55,-37.49,;67.21,-37.44,;68.57,-38.19,;68.59,-39.74,;67.27,-40.52,;67.28,-42.06,;63.27,-39.78,;63.27,-38.24,;56.6,-40.55,;55.27,-39.79,;53.95,-40.55,;52.62,-39.78,;51.84,-38.45,;53.39,-38.44,;51.29,-40.55,)|
Structure:
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