Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50205722
Substrate
n/a
Meas. Tech.
ChEMBL_588678 (CHEMBL1056088)
Ki
3000±n/a nM
Citation
 Volpini, R; Buccioni, M; Dal Ben, D; Lambertucci, C; Lammi, C; Marucci, G; Ramadori, AT; Klotz, KN; Cristalli, G Synthesis and biological evaluation of 2-alkynyl-N6-methyl-5'-N-methylcarboxamidoadenosine derivatives as potent and highly selective agonists for the human adenosine A3 receptor. J Med Chem 52:7897-900 (2009) [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:
BDBM50205722
Synonyms:
(2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(methoxyamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide | 2-[(4-fluorophenyl)ethynyl]-N6-methoxy-5'-N-methylcarboxamidoadenosine | CHEMBL427077
Type:
Small organic molecule
Emp. Form.:
C20H19FN6O5
Mol. Mass.:
442.4005
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: