Target
Wee1-like protein kinase
Ligand
BDBM50043637
Substrate
n/a
Meas. Tech.
ChEMBL_1445054 (CHEMBL3372986)
EC50
3800±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:
BDBM50043637
Synonyms:
CHEMBL3355522
Type:
Small organic molecule
Emp. Form.:
C25H22ClN7O
Mol. Mass.:
471.941
SMILES:
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2c1=O |(59.29,-2.07,;57.96,-2.85,;56.62,-2.08,;55.29,-2.85,;55.29,-4.4,;56.63,-5.17,;57.96,-4.4,;59.3,-5.17,;59.3,-6.71,;58.16,-7.73,;58.78,-9.13,;60.3,-8.97,;60.62,-7.48,;61.95,-6.72,;63.28,-7.49,;64.62,-6.73,;65.95,-7.5,;65.94,-9.04,;64.61,-9.8,;64.6,-11.34,;65.93,-12.12,;67.27,-11.34,;67.27,-9.8,;65.94,-13.65,;64.6,-14.41,;64.59,-15.95,;65.92,-16.73,;67.26,-15.96,;67.27,-14.42,;64.62,-5.18,;63.29,-4.41,;61.96,-5.17,;60.62,-4.4,;60.62,-2.86,)|
Structure:
Search PDB for entries with ligand similarity: