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Target
Serine/threonine-protein kinase TNNI3K
Ligand
BDBM50245270
Substrate
n/a
Meas. Tech.
ChEMBL_1674597 (CHEMBL4024626)
IC50
1300±n/a nM
Citation
 Philp, J; Lawhorn, BG; Graves, AP; Shewchuk, L; Rivera, KL; Jolivette, LJ; Holt, DA; Gatto, GJ; Kallander, LS 4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors. J Med Chem 61:3076-3088 (2018) [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:
BDBM50245270
Synonyms:
CHEMBL4085055
Type:
Small organic molecule
Emp. Form.:
C18H19N5O2S
Mol. Mass.:
369.441
SMILES:
CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccccc3C)ncn2)c1
Structure:
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