Target
Wee1-like protein kinase
Ligand
BDBM50043640
Substrate
n/a
Meas. Tech.
ChEMBL_1445054 (CHEMBL3372986)
EC50
1500±n/a nM
Citation
 Tong, YTorrent, MFlorjancic, ASBromberg, KDBuchanan, FGFerguson, DCJohnson, EFLasko, LMMaag, DMerta, PJOlson, AMOsterling, DJSoni, NShoemaker, ARPenning, 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:
BDBM50043640
Synonyms:
CHEMBL3355525
Type:
Small organic molecule
Emp. Form.:
C25H23ClN8O
Mol. Mass.:
486.956
SMILES:
CN1CCN(CC1)c1cccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)c1 |(29.29,-32.06,;30.63,-31.3,;30.64,-29.76,;31.97,-29,;33.3,-29.78,;33.3,-31.32,;31.96,-32.08,;34.63,-29.02,;35.97,-29.79,;37.31,-29.02,;37.3,-27.48,;35.98,-26.71,;35.98,-25.17,;34.65,-24.4,;34.65,-22.85,;33.32,-22.08,;31.99,-22.85,;31.98,-24.39,;33.31,-25.17,;30.65,-25.16,;30.33,-26.65,;28.81,-26.8,;28.19,-25.4,;29.33,-24.39,;29.33,-22.84,;27.99,-22.07,;26.66,-22.84,;25.32,-22.07,;25.32,-20.53,;26.65,-19.76,;27.99,-20.52,;29.32,-19.75,;30.65,-22.07,;30.65,-20.53,;34.64,-27.48,)|
Structure:
Search PDB for entries with ligand similarity: