Reaction Details Report a problem with these data
Target
Wee1-like protein kinase
Ligand
BDBM264274
Substrate
n/a
Meas. Tech.
Wee-1 kinase Assay
Temperature
298.15±n/a K
IC50
>200±n/a nM
Comments
extracted
Citation
 O Dowd, CR; Rountree, JS; Burkamp, F; Wilkinson, AJ Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors US Patent  US9714244 Publication Date 7/25/2017 
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:
BDBM264274
Synonyms:
N-(6-(2,6-Dichlorophenyl)-5-oxo-2-((4-(piperazin-1-yl)phenyl)amino)-5,6-dihydropyrido[4,3-d]pyrimidin-8-yl)acetamide | US9714244, 28
Type:
Small organic molecule
Emp. Form.:
C25H23Cl2N7O2
Mol. Mass.:
524.402
SMILES:
CC(=O)Nc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |(2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;4,-2.31,;4,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;8,4.62,;9.34,3.85,;9.34,2.31,;8,1.54,;8,,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-6.67,2.31,;-8,1.54,;-9.34,2.31,;-9.34,3.85,;-8,4.62,;-6.67,3.85,;1.33,-.77,;2.67,,)|
Structure:
Search PDB for entries with ligand similarity: