Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50080389
Substrate
n/a
Meas. Tech.
ChEMBL_29611 (CHEMBL642893)
Ki
3.6±n/a nM
Citation
 Knutsen, LJ; Lau, J; Petersen, H; Thomsen, C; Weis, JU; Shalmi, M; Judge, ME; Hansen, AJ; Sheardown, MJ N-substituted adenosines as novel neuroprotective A(1) agonists with diminished hypotensive effects. J Med Chem 42:3463-77 (1999) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50080389
Synonyms:
(2S,3S,4R,5R)-2-Chloromethyl-5-[2-chloro-6-(4-phenylsulfanyl-piperidin-1-ylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol | CHEMBL117974
Type:
Small organic molecule
Emp. Form.:
C21H24Cl2N6O3S
Mol. Mass.:
511.425
SMILES:
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
Structure:
Search PDB for entries with ligand similarity: