Reaction Details Report a problem with these data
Target
Wee1-like protein kinase
Ligand
BDBM264249
Substrate
n/a
Meas. Tech.
Wee-1 kinase Assay
Temperature
298.15±n/a K
IC50
105±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:
BDBM264249
Synonyms:
6-(2,6-Dichlorophenyl)-2-((4-(2-(diethylamino)ethoxy)phenyl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | US9714244, 4
Type:
Small organic molecule
Emp. Form.:
C25H25Cl2N5O2
Mol. Mass.:
498.404
SMILES:
CCN(CC)CCOc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,-2.7,;-9.34,-1.93,;-9.34,-.39,;-10.67,.39,;-10.67,1.93,;-8,.39,;-6.67,-.39,;-5.33,.39,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.39,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;8,.39,;9.34,-.39,;9.34,-1.93,;10.67,.39,;10.67,1.93,;9.34,2.7,;8,1.93,;6.67,2.7,;5.33,.39,;5.33,1.93,;2.67,-2.7,;-1.33,-.39,;-2.67,.39,)|
Structure:
Search PDB for entries with ligand similarity: