Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50292322
Substrate
n/a
Meas. Tech.
ChEMBL_630177 (CHEMBL1117280)
Ki
50±n/a nM
Citation
 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists. Bioorg Med Chem 18:3078-87 (2010) [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:
BDBM50292322
Synonyms:
(2R,3R,4S,5R)-2-(6-((1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | CHEMBL399774 | N6-(2,2,5,5-tetramethylpyrrolidin-1-yloxyl-3-ylmethyl)adenosine | VCP-28
Type:
Small organic molecule
Emp. Form.:
C19H29N6O5
Mol. Mass.:
421.4708
SMILES:
CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O] |w:4.4,^1:29|
Structure:
Search PDB for entries with ligand similarity: