Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50095605
Substrate
n/a
Meas. Tech.
ChEMBL_29598 (CHEMBL640256)
IC50
112±n/a nM
Citation
 Beauglehole, AR; Baker, SP; Scammells, PJ Fluorosulfonyl-substituted xanthines as selective irreversible antagonists for the A(1)-adenosine receptor. J Med Chem 43:4973-80 (2001) [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:
BDBM50095605
Synonyms:
4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl]-benzenesulfonyl fluoride | CHEMBL147156
Type:
Small organic molecule
Emp. Form.:
C23H29FN4O4S
Mol. Mass.:
476.564
SMILES:
CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: