Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50372288
Substrate
n/a
Meas. Tech.
ChEMBL_464846 (CHEMBL930563)
Ki
8120±n/a nM
Citation
 González, MP; Besada, P; González Moa, MJ; Teijeira, M; Terán, C New QSAR combined strategy for the design of A1 adenosine receptor agonists. Bioorg Med Chem 16:1658-75 (2008) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50372288
Synonyms:
CHEMBL272016
Type:
Small organic molecule
Emp. Form.:
C19H19IN6O
Mol. Mass.:
474.2982
SMILES:
CNC(=O)C1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12 |w:4.3,8.9,c:6|
Structure:
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