Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50375517
Substrate
n/a
Meas. Tech.
ChEMBL_472907 (CHEMBL922121)
IC50
0.12±n/a nM
Citation
 Ashton, TD; Baker, SP; Hutchinson, SA; Scammells, PJ N6-substituted C5'-modified adenosines as A1 adenosine receptor agonists. Bioorg Med Chem 16:1861-73 (2008) [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:
BDBM50375517
Synonyms:
CHEMBL411245
Type:
Small organic molecule
Emp. Form.:
C19H24N6O4S
Mol. Mass.:
432.497
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:23.25,25.26,THB:17:18:23.25:21,TEB:24:23:21:19.18,24:25:21:19.18|
Structure:
Search PDB for entries with ligand similarity: