Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50163025
Substrate
n/a
Meas. Tech.
ChEMBL_479902 (CHEMBL935755)
Ki
8.8±n/a nM
Citation
 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA Design of (N)-methanocarba adenosine 5'-uronamides as species-independent A3 receptor-selective agonists. Bioorg Med Chem Lett 18:2813-9 (2008) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_MOUSE | Adenosine A1 receptor | Adenosine receptor A1 | Adora1
Type:
PROTEIN
Mol. Mass.:
36646.06
Organism:
Mus musculus
Description:
ChEMBL_479902
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIEEDIPEEKADD
  
Inhibitor
Name:
BDBM50163025
Synonyms:
(1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide | 1N-methyl-4-[6-(3-bromobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide | CHEMBL425741
Type:
Small organic molecule
Emp. Form.:
C20H20BrClN6O3
Mol. Mass.:
507.768
SMILES:
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
Structure:
Search PDB for entries with ligand similarity: