Target
Wee1-like protein kinase
Ligand
BDBM264279
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, CRRountree, JSBurkamp, FWilkinson, 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:
BDBM264279
Synonyms:
2-(4-(4-((6-(2,6-Dichlorophenyl)-5-oxo-5,6-dihydropyrido[4,3-d]pyrimidin-2-yl)amino)phenyl)piperazin-1-yl)acetic acid | US9714244, 33
Type:
Small organic molecule
Emp. Form.:
C25H22Cl2N6O3
Mol. Mass.:
525.387
SMILES:
OC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-11.34,2.7,;-10,1.92,;-10,.39,;-8.67,2.7,;-7.34,1.92,;-7.34,.39,;-6,-.39,;-4.67,.39,;-4.67,1.92,;-6,2.7,;-3.33,-.39,;-3.33,-1.92,;-2,-2.7,;-.67,-1.92,;.67,-2.7,;2,-1.92,;2,-.39,;3.33,.39,;4.67,-.39,;4.67,-1.92,;6,-2.7,;7.34,-1.92,;7.34,-.39,;8.67,.39,;8.67,1.92,;7.34,2.7,;10,2.7,;11.34,1.92,;11.34,.39,;10,-.39,;10,-1.92,;6,.39,;6,1.92,;3.33,-2.7,;-.67,-.39,;-2,.39,)|
Structure:
Search PDB for entries with ligand similarity: