Target
Serine/threonine-protein kinase TNNI3K
Ligand
BDBM50197727
Substrate
n/a
Meas. Tech.
ChEMBL_1619734 (CHEMBL3861903)
IC50
<10.0±n/a nM
Citation
 Lawhorn, BGPhilp, JGraves, APHolt, DAGatto, GJKallander, LS Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors. J Med Chem 59:10629-10641 (2016) [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:
BDBM50197727
Synonyms:
CHEMBL3895839
Type:
Small organic molecule
Emp. Form.:
C19H20N6O3S
Mol. Mass.:
412.465
SMILES:
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(-c4ccco4)c23)c1
Structure:
Search PDB for entries with ligand similarity: