Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50021448
Substrate
n/a
Meas. Tech.
ChEMBL_29145 (CHEMBL638690)
Ki
97.7±n/a nM
Citation
 Kim, SA; Marshall, MA; Melman, N; Kim, HS; Müller, CE; Linden, J; Jacobson, KA Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. J Med Chem 45:2131-8 (2002) [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:
BDBM50021448
Synonyms:
8-(2-Hydroxy-4-methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione | 8-(2-Hydroxy-4-methoxy-phenyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione | 8-(2-hydroxy-4-methoxyphenyl)xanthine | CHEMBL350469
Type:
Small organic molecule
Emp. Form.:
C18H22N4O4
Mol. Mass.:
358.3917
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O
Structure:
Search PDB for entries with ligand similarity: