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Target
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
Ligand
BDBM5718
Substrate
n/a
Meas. Tech.
ChEMBL_217489 (CHEMBL823565)
IC50
>2000000±n/a nM
Citation
 Naumann, T; Matter, H Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes. J Med Chem 45:2366-78 (2002) [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:
BDBM5718
Synonyms:
2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol | 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethanol | 6-(benzylamino)-2-[(2-hydroxyethyl)amino]-9-methylpurine | CHEMBL280074 | Olomoucine | purine deriv. 5
Type:
Small organic molecule
Emp. Form.:
C15H18N6O
Mol. Mass.:
298.343
SMILES:
Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Structure:
Search PDB for entries with ligand similarity: