Target
Serine/threonine-protein kinase TNNI3K
Ligand
BDBM50118382
Substrate
n/a
Meas. Tech.
ChEMBL_1515051 (CHEMBL3616263)
IC50
0.700000±n/a nM
Citation
 Lawhorn, BGPhilp, JZhao, YLouer, CHammond, MCheung, MFries, HGraves, APShewchuk, LWang, LCottom, JEQi, HZhao, HTotoritis, RZhang, GSchwartz, BLi, HSweitzer, SHolt, DAGatto, GJKallander, LS Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J Med Chem 58:7431-48 (2015) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase TNNI3K
Synonyms:
CARK | Serine/threonine-protein kinase TNNI3K | TNI3K_HUMAN | TNNI3K
Type:
Enzyme Catalytic Domain
Mol. Mass.:
92855.14
Organism:
Homo sapiens (Human)
Description:
gi_7705748
Residue:
835
Sequence:
MGNYKSRPTQTCTDEWKKKVSESYVITIERLEDDLQIKEKELTELRNIFGSDEAFSKVNLNYRTENGLSLLHLCCICGGKKSHIRTLMLKGLRPSRLTRNGFTALHLAVYKDNAELITSLLHSGADIQQVGYGGLTALHIATIAGHLEAADVLLQHGANVNIQDAVFFTPLHIAAYYGHEQVTRLLLKFGADVNVSGEVGDRPLHLASAKGFLNIAKLLMEEGSKADVNAQDNEDHVPLHFCSRFGHHDIVKYLLQSDLEVQPHVVNIYGDTPLHLACYNGKFEVAKEIIQISGTESLTKENIFSETAFHSACTYGKSIDLVKFLLDQNVININHQGRDGHTGLHSACYHGHIRLVQFLLDNGADMNLVACDPSRSSGEKDEQTCLMWAYEKGHDAIVTLLKHYKRPQDELPCNEYSQPGGDGSYVSVPSPLGKIKSMTKEKADILLLRAGLPSHFHLQLSEIEFHEIIGSGSFGKVYKGRCRNKIVAIKRYRANTYCSKSDVDMFCREVSILCQLNHPCVIQFVGACLNDPSQFAIVTQYISGGSLFSLLHEQKRILDLQSKLIIAVDVAKGMEYLHNLTQPIIHRDLNSHNILLYEDGHAVVADFGESRFLQSLDEDNMTKQPGNLRWMAPEVFTQCTRYTIKADVFSYALCLWEILTGEIPFAHLKPAAAAADMAYHHIRPPIGYSIPKPISSLLIRGWNACPEGRPEFSEVVMKLEECLCNIELMSPASSNSSGSLSPSSSSDCLVNRGGPGRSHVAALRSRFELEYALNARSYAALSQSAGQYSSQGLSLEEMKRSLQYTPIDKYGYVSDPMSSMHFHSCRNSSSFEDSS
  
Inhibitor
Name:
BDBM50118382
Synonyms:
CHEMBL3613198
Type:
Small organic molecule
Emp. Form.:
C15H17BrN6O2S
Mol. Mass.:
425.303
SMILES:
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1
Structure:
Search PDB for entries with ligand similarity: