Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50026817
Substrate
n/a
Meas. Tech.
ChEMBL_1438218 (CHEMBL3390250)
Ki
1890±n/a nM
Citation
 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA Structure-Based Design of Reactive Nucleosides for Site-Specific Modification of the A2A Adenosine Receptor. ACS Med Chem Lett 5:1043-8 (2014) [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:
BDBM50026817
Synonyms:
CHEMBL3335526
Type:
Small organic molecule
Emp. Form.:
C29H33N9O8
Mol. Mass.:
635.6278
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(O)c(c4)[N+]([O-])=O)cc3)nc12 |r|
Structure:
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