Reaction Details Report a problem with these data
Target
Wee1-like protein kinase
Ligand
BDBM50043639
Substrate
n/a
Meas. Tech.
ChEMBL_1445052 (CHEMBL3372984)
Ki
6.6±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:
BDBM50043639
Synonyms:
CHEMBL3355524
Type:
Small organic molecule
Emp. Form.:
C26H23ClN8O2
Mol. Mass.:
514.966
SMILES:
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(21.77,-35.76,;23.11,-35,;24.44,-35.78,;23.12,-33.46,;21.79,-32.68,;21.79,-31.15,;23.13,-30.39,;24.46,-31.15,;24.46,-32.69,;23.13,-28.85,;21.8,-28.07,;21.8,-26.53,;23.14,-25.77,;23.14,-24.23,;21.81,-23.46,;21.81,-21.91,;20.48,-21.14,;19.15,-21.91,;19.14,-23.45,;20.47,-24.22,;17.81,-24.21,;17.49,-25.7,;15.97,-25.86,;15.36,-24.46,;16.5,-23.44,;16.49,-21.9,;15.16,-21.13,;13.82,-21.9,;12.49,-21.13,;12.49,-19.58,;13.82,-18.81,;15.15,-19.58,;16.48,-18.8,;17.82,-21.13,;17.82,-19.59,;24.47,-26.54,;24.47,-28.07,)|
Structure:
Search PDB for entries with ligand similarity: