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Target
Wee1-like protein kinase
Ligand
BDBM50615045
Substrate
n/a
Meas. Tech.
ChEMBL_2299565
IC50
9.6±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:
BDBM50615045
Synonyms:
CHEMBL5274503
Type:
Small organic molecule
Emp. Form.:
C31H34N8O3
Mol. Mass.:
566.6535
SMILES:
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |(7.84,5.14,;7.08,3.82,;7.85,2.49,;9.38,2.49,;10.15,1.17,;9.39,-.17,;7.85,-.17,;7.08,1.15,;5.55,1.15,;4.64,-.09,;5.11,-1.55,;4.08,-2.69,;4.55,-4.15,;6.05,-4.48,;7.08,-3.34,;6.62,-1.87,;8.58,-3.66,;9.61,-2.53,;8.98,-5.14,;10.06,-4.06,;3.17,.38,;1.84,-.38,;.51,.38,;-.81,-.38,;-2.14,.38,;-3.47,-.4,;-4.81,.37,;-4.81,1.9,;-3.48,2.68,;-2.14,1.92,;-6.14,2.66,;-6.14,4.2,;-7.5,4.96,;-8.82,4.18,;-10.15,4.94,;-8.82,2.65,;-7.48,1.89,;.51,1.93,;1.84,2.7,;3.17,1.93,;4.64,2.4,;5.11,3.86,)|
Structure:
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