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Target
cAMP-dependent protein kinase catalytic subunit gamma
Ligand
BDBM50405346
Substrate
n/a
Meas. Tech.
ChEMBL_2265085
Ki
85000±n/a nM
Citation
 Müller, J; Klein, R; Tarkhanova, O; Gryniukova, A; Borysko, P; Merkl, S; Ruf, M; Neumann, A; Gastreich, M; Moroz, YS; Klebe, G; Glinca, S Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J Med Chem 65:15663-15678 (2022) [PubMed] 
Target
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:
BDBM50405346
Synonyms:
CHEMBL5266306
Type:
Small organic molecule
Emp. Form.:
C13H14ClN3
Mol. Mass.:
247.723
SMILES:
Nc1ccc(\C=C2\CCCNC2)c(Cl)c1C#N
Structure:
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