Reaction Details Report a problem with these data
Target
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
Ligand
BDBM50186460
Substrate
n/a
Meas. Tech.
ChEMBL_377349 (CHEMBL865414)
IC50
>50000±n/a nM
Citation
 Das, J; Furch, JA; Liu, C; Moquin, RV; Lin, J; Spergel, SH; McIntyre, KW; Shuster, DJ; O'Day, KD; Penhallow, B; Hung, CY; Doweyko, AM; Kamath, A; Zhang, H; Marathe, P; Kanner, SB; Lin, TA; Dodd, JH; Barrish, JC; Wityak, J Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors. Bioorg Med Chem Lett 16:3706-12 (2006) [PubMed]  Article 
Target
Name:
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
Synonyms:
cAMP-dependent protein kinase (PKA)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 217489
Components:
This complex has 3 components.
Component 1
Name:
cAMP-dependent protein kinase catalytic subunit beta
Synonyms:
KAPCB_HUMAN | PKA C-beta | PKAC-beta | PRKACB | cAMP-dependent protein kinase (PKA) | cAMP-dependent protein kinase beta-1 catalytic subunit | cAMP-dependent protein kinase catalytic subunit beta
Type:
PROTEIN
Mol. Mass.:
40631.25
Organism:
Homo sapiens (Human)
Description:
ChEMBL_586348
Residue:
351
Sequence:
MGNAATAKKGSEVESVKEFLAKAKEDFLKKWENPTQNNAGLEDFERKKTLGTGSFGRVMLVKHKATEQYYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVRLEYAFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDHQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVSDIKTHKWFATTDWIAIYQRKVEAPFIPKFRGSGDTSNFDDYEEEDIRVSITEKCAKEFGEF
  
Component 2
Name:
cAMP-dependent protein kinase catalytic subunit alpha
Synonyms:
KAPCA_HUMAN | PKA C-alpha | PKACA | PRKACA | cAMP-dependent protein kinase (PKA) | cAMP-dependent protein kinase catalytic (PKA) | cAMP-dependent protein kinase catalytic subunit alpha | cAMP-dependent protein kinase catalytic subunit alpha (PKA) | cAMP-dependent protein kinase catalytic subunit alpha (PKACA) | cAMP-dependent protein kinase catalytic subunit alpha (PKAc) | cAMP-dependent protein kinase catalytic subunit alpha isoform 1 | cAMP-dependent protein kinase, alpha-catalytic subunit
Type:
Enzyme Catalytic Subunit
Mol. Mass.:
40598.73
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
351
Sequence:
MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF
  
Component 3
Name:
cAMP-dependent protein kinase catalytic subunit gamma
Synonyms:
KAPCG_HUMAN | PKA C-gamma | PRKACG | cAMP-dependent protein kinase (PKA) | cAMP-dependent protein kinase catalytic subunit gamma
Type:
PROTEIN
Mol. Mass.:
40442.03
Organism:
Homo sapiens (Human)
Description:
ChEMBL_104720
Residue:
351
Sequence:
MGNAPAKKDTEQEESVNEFLAKARGDFLYRWGNPAQNTASSDQFERLRTLGMGSFGRVMLVRHQETGGHYAMKILNKQKVVKMKQVEHILNEKRILQAIDFPFLVKLQFSFKDNSYLYLVMEYVPGGEMFSRLQRVGRFSEPHACFYAAQVVLAVQYLHSLDLIHRDLKPENLLIDQQGYLQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAVGFPPFYADQPIQIYEKIVSGRVRFPSKLSSDLKHLLRSLLQVDLTKRFGNLRNGVGDIKNHKWFATTSWIAIYEKKVEAPFIPKYTGPGDASNFDDYEEEELRISINEKCAKEFSEF
  
Inhibitor
Name:
BDBM50186460
Synonyms:
CHEMBL209148 | N-(5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-((3,3-dimethylbutan-2-ylamino)methyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C32H41N5O4S2
Mol. Mass.:
623.829
SMILES:
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Structure:
Search PDB for entries with ligand similarity: