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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50443191
Substrate
n/a
Meas. Tech.
ChEMBL_1276382 (CHEMBL3088400)
Ki
2000±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:
BDBM50443191
Synonyms:
CHEMBL3086541
Type:
Small organic molecule
Emp. Form.:
C17H15N3O2S
Mol. Mass.:
325.385
SMILES:
COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccn3)sc2c1 |r|
Structure:
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