Target
Adenosine receptor A1
Ligand
BDBM50205585
Substrate
n/a
Meas. Tech.
ChEMBL_435757 (CHEMBL904111)
Ki
2.3±n/a nM
Citation
 Baraldi, PGPreti, DTabrizi, MAFruttarolo, FSaponaro, GBaraldi, SRomagnoli, RMoorman, ARGessi, SVarani, KBorea, PA N(6)-[(hetero)aryl/(cyclo)alkyl-carbamoyl-methoxy-phenyl]-(2-chloro)-5'-N-ethylcarboxamido-adenosines: the first example of adenosine-related structures with potent agonist activity at the human A(2B) adenosine receptor. Bioorg Med Chem 15:2514-27 (2007) [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:
BDBM50205585
Synonyms:
(2S,3S,4R,5R)-N-ethyl-5-(6-(4-(2-(4-fluorophenylamino)-2-oxoethoxy)phenylamino)-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide | 1-deoxy-1-[6-{4-[(4-fluoro-phenylcarbamoyl)-methoxy]-phenylamino}-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide | CHEMBL226194
Type:
Small organic molecule
Emp. Form.:
C26H26FN7O6
Mol. Mass.:
551.5263
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12
Structure:
Search PDB for entries with ligand similarity: