Reaction Details Report a problem with these data
Target
Wee1-like protein kinase
Ligand
BDBM264251
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:
BDBM264251
Synonyms:
6-(2,6-Dichlorophenyl)-2-((4-(1,1-dioxidothiomorpholino)phenyl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | US9714244, 6
Type:
Small organic molecule
Emp. Form.:
C23H19Cl2N5O3S
Mol. Mass.:
516.4
SMILES:
Clc1cccc(Cl)c1-n1ccc2nc(Nc3ccc(cc3)N3CCS(=O)(=O)CC3)ncc2c1=O |(8.67,-1.92,;8.67,-.38,;10,.38,;10,1.93,;8.67,2.69,;7.34,1.93,;6,2.69,;7.34,.38,;6,-.38,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;2,-2.69,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-8.67,1.93,;-10,2.69,;-10,1.15,;-7.34,2.69,;-6,1.93,;.67,-.38,;2,.38,;3.33,-.38,;4.67,.38,;4.67,1.93,)|
Structure:
Search PDB for entries with ligand similarity: