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Target
Wee1-like protein kinase
Ligand
BDBM50615046
Substrate
n/a
Meas. Tech.
ChEMBL_2299565
IC50
2.3±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:
BDBM50615046
Synonyms:
CHEMBL5289001
Type:
Small organic molecule
Emp. Form.:
C30H31FN8O2
Mol. Mass.:
554.6179
SMILES:
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2F)c3=O)cc1 |(-10.15,5.03,;-8.82,4.28,;-7.5,5.05,;-6.14,4.29,;-6.14,2.75,;-7.48,1.98,;-8.82,2.74,;-4.81,1.99,;-4.81,.46,;-3.47,-.3,;-2.14,.47,;-.81,-.29,;.51,.48,;.51,2.02,;1.84,2.8,;3.17,2.02,;3.17,.47,;1.84,-.29,;4.64,-0,;5.11,-1.46,;4.08,-2.6,;4.55,-4.06,;6.05,-4.39,;7.08,-3.25,;6.62,-1.78,;8.58,-3.57,;9.61,-2.44,;8.98,-5.05,;10.11,-3.57,;5.55,1.25,;7.08,1.25,;7.84,-.08,;9.38,-.08,;10.15,1.26,;9.38,2.58,;7.84,2.58,;7.08,3.91,;4.64,2.49,;5.11,3.95,;-2.14,2.01,;-3.48,2.77,)|
Structure:
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