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Target
Wee1-like protein kinase
Ligand
BDBM50615047
Substrate
n/a
Meas. Tech.
ChEMBL_2299565
IC50
6.6±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:
BDBM50615047
Synonyms:
CHEMBL5276665
Type:
Small organic molecule
Emp. Form.:
C31H34N8O2
Mol. Mass.:
550.6541
SMILES:
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2C)c3=O)cc1 |(-10.16,5.08,;-8.83,4.31,;-8.83,2.77,;-7.5,2,;-6.16,2.77,;-6.16,4.31,;-7.5,5.08,;-4.83,2,;-3.5,2.77,;-2.16,2,;-2.16,.46,;-.83,-.31,;.51,.46,;.51,2,;1.84,2.77,;3.17,2,;3.17,.46,;1.84,-.31,;4.64,-.02,;5.11,-1.48,;4.08,-2.63,;4.56,-4.09,;6.07,-4.41,;7.1,-3.27,;6.62,-1.8,;8.6,-3.59,;9.63,-2.44,;9,-5.08,;10.09,-3.99,;5.54,1.23,;7.08,1.23,;7.85,-.11,;9.39,-.11,;10.16,1.23,;9.39,2.56,;7.85,2.56,;7.08,3.89,;4.64,2.47,;5.11,3.94,;-3.5,-.31,;-4.83,.46,)|
Structure:
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