Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50315854
Substrate
n/a
Meas. Tech.
ChEMBL_625531 (CHEMBL1107963)
Ki
457±n/a nM
Citation
 Narlawar, R; Lane, JR; Doddareddy, M; Lin, J; Brussee, J; Ijzerman, AP Hybrid ortho/allosteric ligands for the adenosine A(1) receptor. J Med Chem 53:3028-37 (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:
BDBM50315854
Synonyms:
CHEMBL1090686 | N6-[2-Amino-3-(3,4-dichlorobenzoyl)-4,5,6,7-tetrahydrothieno-[2,3-c]pyridin-6-yl-8-octyloxy-4-phenyl]-adenosine
Type:
Small organic molecule
Emp. Form.:
C38H43Cl2N7O6S
Mol. Mass.:
796.762
SMILES:
Nc1sc2CN(CCCCCCCCOc3ccc(Nc4ncnc5n(cnc45)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Structure:
Search PDB for entries with ligand similarity: