Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50060847
Substrate
n/a
Meas. Tech.
ChEMBL_28847 (CHEMBL646709)
Ki
190±n/a nM
Citation
 Van Calenbergh, S; von Frijtag Drabbe Künzel, JK; Blaton, NM; Peeters, OM; Rozenski, J; Van Aerschot, A; De Bruyn, A; De Keukeleire, D; IJzerman, AP; Herdewijn, P N6-cyclopentyl-3'-substituted-xylofuranosyladenosines: a new class of non-xanthine adenosine A1 receptor antagonists. J Med Chem 40:3765-72 (1997) [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:
BDBM50060847
Synonyms:
4-Cyclohexyl-N-[(R)-5-(6-cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-butyramide | CHEMBL338399
Type:
Small organic molecule
Emp. Form.:
C25H38N6O4
Mol. Mass.:
486.607
SMILES:
OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12
Structure:
Search PDB for entries with ligand similarity: