Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50088422
Substrate
n/a
Meas. Tech.
ChEMBL_27423 (CHEMBL646667)
EC50
43±n/a nM
Citation
 Jacobson, KA; Ji, X; Li, AH; Melman, N; Siddiqui, MA; Shin, KJ; Marquez, VE; Ravi, RG Methanocarba analogues of purine nucleosides as potent and selective adenosine receptor agonists. J Med Chem 43:2196-203 (2000) [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:
BDBM50088422
Synonyms:
(2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol | 2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol | CHEMBL66393
Type:
Small organic molecule
Emp. Form.:
C17H18IN5O4
Mol. Mass.:
483.2604
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Structure:
Search PDB for entries with ligand similarity: