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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM434516
Substrate
n/a
Meas. Tech.
Kinase Inhibition Assay
EC50
55±n/a nM
Citation
 Laurent, A; Rose, Y; Morris, SJ Benzimidazoles derivatives as Tec kinases family inhibitors US Patent  US10562893 Publication Date 2/18/2020 
Target
Name:
Tyrosine-protein kinase ITK/TSK
Synonyms:
EMT | ITK | ITK_HUMAN | Kinase EMT | LYK | T-cell-specific kinase | Tyrosine-protein kinase ITK | Tyrosine-protein kinase ITK (ITK) | Tyrosine-protein kinase Lyk
Type:
Protein
Mol. Mass.:
71839.20
Organism:
Homo sapiens (Human)
Description:
Q08881
Residue:
620
Sequence:
MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL
  
Inhibitor
Name:
BDBM434516
Synonyms:
US10562893, Compound 3
Type:
Small organic molecule
Emp. Form.:
C29H37F2N5O2S
Mol. Mass.:
557.698
SMILES:
C[C@H](NCc1ccc2n([C@@H]3CC[C@@H](CC3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,12.15,wD:1.0,(-7.63,6.43,;-7.63,4.89,;-6.3,4.12,;-4.96,4.89,;-3.63,4.12,;-3.63,2.58,;-2.29,1.81,;-.96,2.58,;.5,2.1,;.9,.61,;-.19,-.48,;.21,-1.96,;1.7,-2.36,;2.79,-1.27,;2.39,.21,;2.1,-3.85,;1.01,-4.94,;1.41,-6.43,;-.48,-4.54,;-1.57,-5.63,;1.41,3.35,;2.95,3.35,;3.72,4.68,;2.95,6.01,;5.26,4.68,;6.16,5.93,;7.63,5.45,;7.63,3.91,;6.16,3.43,;8.96,3.14,;10.3,3.91,;8.96,1.6,;.5,4.59,;-.96,4.12,;-2.29,4.89,;-8.96,4.12,;-10.3,4.89,;-8.96,2.58,;-10.3,3.35,)|
Structure:
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