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TargetTyrosine-protein kinase ITK/TSK
LigandBDBM50442159
Substrate/Competitorn/a
Meas. Tech.ChEMBL_993112 (CHEMBL2446687)
Ki 16±n/a nM
Citation Alder, CMAmbler, MCampbell, AJChampigny, ACDeakin, AMHarling, JDHarris, CALongstaff, TLynn, SMaxwell, ACMooney, CJScullion, CSingh, OMSmith, IESomers, DOTame, CJWayne, GWilson, CWoolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase ITK/TSK
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:
MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRI
KCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKY
HPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALY
DYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWY
NKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETND
NPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDP
SELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQ
LYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIH
RDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSD
VWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPE
DRPAFSRLLRQLAEIAESGL
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BDBM50442159
n/a
NameBDBM50442159
Synonyms:CHEMBL2441285
TypeSmall organic molecule
Emp. Form.C24H23F3N6O2S
Mol. Mass.516.539
SMILESCOc1ccc2nc(Nc3cc(nc(N[C@H]4CC[C@H](O)CC4)n3)C(F)(F)c3ccc(F)cc3)sc2n1 |r,wU:18.18,wD:15.14,(18.65,-21.99,;17.9,-20.64,;16.36,-20.61,;15.62,-19.27,;14.09,-19.24,;13.3,-20.55,;11.79,-20.85,;11.6,-22.37,;10.25,-23.11,;10.23,-24.65,;8.88,-25.4,;8.85,-26.94,;10.17,-27.73,;11.52,-26.99,;12.84,-27.78,;12.81,-29.32,;11.46,-30.06,;11.43,-31.6,;12.75,-32.4,;12.73,-33.94,;14.1,-31.65,;14.13,-30.11,;11.55,-25.45,;7.51,-27.68,;6.32,-28.66,;8.28,-29.01,;6.14,-26.97,;4.84,-27.8,;3.47,-27.09,;3.4,-25.56,;2.03,-24.85,;4.7,-24.72,;6.06,-25.43,;13,-23.03,;14.04,-21.9,;15.57,-21.93,)|
Structure
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