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TargetInterlukin-2-inducible tyrosine kinase (Itk)
LigandBDBM213212
Substrate/Competitorn/a
Meas. Tech.LanthaScreen Kinase Binding Assay
IC50 1.0e+2±0 nM
Citation Harling JDDeakin AMCampos SGrimley RChaudry LNye CPolyakova OBessant CMBarton NSomers DBarrett JGraves RHHanns LKerr WJSolari R Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket. J Biol Chem 288:28195-206 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Interlukin-2-inducible tyrosine kinase (Itk)
Name:Interlukin-2-inducible tyrosine kinase (Itk)
Synonyms:n/a
Type:Enzyme
Mol. Mass.:30027.99
Organism:Homo sapiens (Human)
Description:Human Itk truncation (357-620 aa) with Y512E mutation
Residue:264
Sequence:
VIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHP
KLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEA
CVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQETSSTGTKFPVKWASPEVFSFSRYS
SKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWK
ERPEDRPAFSRLLRQLAEIAESGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM213212
n/a
NameBDBM213212
Synonyms:(trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl)amino)cyclohexanol (1)
TypeSmall organic molecule
Emp. Form.C21H27N7O2S
Mol. Mass.441.55
SMILESO[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r,wU:1.0,wD:4.7,(1.15,-4.55,;-.18,-3.78,;-1.51,-4.55,;-2.85,-3.78,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-4.18,-1.47,;-4.18,.07,;-5.51,.84,;-5.51,2.38,;-6.85,3.15,;-6.85,4.69,;-5.51,5.46,;-5.51,7,;-6.85,7.77,;-8.18,7,;-8.18,5.46,;-4.18,3.15,;-2.85,2.38,;-1.51,3.15,;-.18,2.38,;1.23,3.01,;2.26,1.87,;3.8,1.87,;4.57,.53,;3.8,-.8,;2.26,-.8,;1.49,.53,;-.02,.85,;-2.85,.84,)|
Structure
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