Reaction Details Report a problem with these data
Target
Wee1-like protein kinase
Ligand
BDBM50522504
Substrate
n/a
Meas. Tech.
ChEMBL_1886838 (CHEMBL4388515)
Ki
1.000000±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:
BDBM50522504
Synonyms:
CHEMBL4551299
Type:
Small organic molecule
Emp. Form.:
C27H26Cl2N6O
Mol. Mass.:
521.441
SMILES:
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2CC2)cc1 |(45.73,-3.07,;47.06,-3.85,;48.41,-3.09,;49.73,-3.87,;49.73,-5.41,;48.39,-6.18,;47.05,-5.4,;51.06,-6.19,;51.06,-7.73,;52.39,-8.5,;53.72,-7.73,;55.05,-8.5,;56.38,-7.73,;56.38,-6.19,;57.7,-5.42,;59.05,-6.19,;59.04,-7.73,;57.72,-8.5,;60.37,-8.49,;61.77,-7.74,;61.71,-6.19,;63.04,-5.4,;63,-3.87,;61.65,-3.13,;64.32,-3.08,;65.67,-3.83,;65.69,-5.37,;64.37,-6.16,;64.39,-7.7,;60.38,-5.41,;60.38,-3.87,;60.35,-10.03,;59.58,-11.36,;61.12,-11.38,;53.71,-6.19,;52.38,-5.43,)|
Structure:
Search PDB for entries with ligand similarity: