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Target
Wee1-like protein kinase
Ligand
BDBM50615066
Substrate
n/a
Meas. Tech.
ChEMBL_2299565
IC50
4.2±n/a nM
Citation
 Guler, S; DiPoto, MC; Crespo, A; Caldwell, R; Doerfel, B; Grossmann, N; Ho, K; Huck, B; Jones, CC; Lan, R; Musil, D; Potnick, J; Schilke, H; Sherer, B; Simon, S; Sirrenberg, C; Zhang, Z; Liu-Bujalski, L Selective Wee1 Inhibitors Led to Antitumor Activity  ACS Med Chem Lett 14:566-576 (2023) [PubMed]
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:
BDBM50615066
Synonyms:
CHEMBL5266595
Type:
Small organic molecule
Emp. Form.:
C26H26Cl2N6O
Mol. Mass.:
509.43
SMILES:
CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.01,-3.86,;4.68,-3.09,;4.68,-1.55,;3.34,-.77,;2,-1.54,;.66,-.77,;-.67,-1.55,;-2,-.78,;-2,.77,;-3.34,1.54,;-4.68,.77,;-4.68,-.78,;-3.34,-1.57,;-6.02,1.55,;-7.36,.78,;-8.69,1.55,;-8.69,3.09,;-10.02,3.86,;-7.36,3.86,;-6.02,3.09,;.66,.77,;2,1.56,;3.34,.78,;4.68,1.55,;6.02,.78,;7.36,1.55,;7.36,3.09,;6.02,3.86,;8.69,3.85,;10.02,3.08,;10.02,1.55,;8.7,.77,;8.7,-.76,;6.02,-.77,;7.36,-1.54,)|
Structure:
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