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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50443185
Substrate
n/a
Meas. Tech.
ChEMBL_1276382 (CHEMBL3088400)
Ki
43±n/a nM
Citation
 MacKinnon, CH; Lau, K; Burch, JD; Chen, Y; Dines, J; Ding, X; Eigenbrot, C; Heifetz, A; Jaochico, A; Johnson, A; Kraemer, J; Kruger, S; Krülle, TM; Liimatta, M; Ly, J; Maghames, R; Montalbetti, CA; Ortwine, DF; Pérez-Fuertes, Y; Shia, S; Stein, DB; Trani, G; Vaidya, DG; Wang, X; Bromidge, SM; Wu, LC; Pei, Z Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK). Bioorg Med Chem Lett 23:6331-5 (2013) [PubMed]  Article 
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:
BDBM50443185
Synonyms:
CHEMBL3086330
Type:
Small organic molecule
Emp. Form.:
C22H20N4O2S
Mol. Mass.:
404.485
SMILES:
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnn(C)c1 |r|
Structure:
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