Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM25398
Substrate
BDBM21173
Meas. Tech.
Adenosine A1 Receptor Binding Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
436±63 nM
Citation
 Karellas, P; McNaughton, M; Baker, SP; Scammells, PJ Synthesis of bivalent beta2-adrenergic and adenosine A1 receptor ligands. J Med Chem 51:6128-37 (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:
BDBM25398
Synonyms:
Bivalent derivative, 12e | N-[5-(2-{[6-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)hexyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide
Type:
Small organic molecule
Emp. Form.:
C25H35N7O7
Mol. Mass.:
545.5881
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21173
Synonyms:
1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | CHEMBL183 | DPCPX | PD116948 | [3H]DPCPX
Type:
radiolabeled ligand
Emp. Form.:
C16H24N4O2
Mol. Mass.:
304.3874
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Structure:
Search PDB for entries with ligand similarity: