Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50060165
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
84±9 nM
Citation
 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists ACS Chem Biol 11:2763-2772 (2016) [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:
BDBM50060165
Synonyms:
(2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | 1-DEAZA-ADENOSINE | Adenosine receptor agonist, 5 | CHEMBL115824
Type:
Small organic molecule
Emp. Form.:
C11H14N4O4
Mol. Mass.:
266.2533
SMILES:
Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity: