Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50080390
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
39.3±8.3 nM
Citation
 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG A neoceptor approach to unraveling microscopic interactions between the human A2A adenosine receptor and its agonists. Chem Biol 12:237-47 (2005) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50080390
Synonyms:
(2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol | Adenosine analog, 16 | CHEMBL331382 | Metrifudil
Type:
Small organic molecule
Emp. Form.:
C18H21N5O4
Mol. Mass.:
371.3904
SMILES:
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity: