Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50224770
Substrate
n/a
Meas. Tech.
ChEMBL_303550 (CHEMBL828801)
Ki
3±n/a nM
Citation
 Cappellacci, L; Franchetti, P; Pasqualini, M; Petrelli, R; Vita, P; Lavecchia, A; Novellino, E; Costa, B; Martini, C; Klotz, KN; Grifantini, M Synthesis, biological evaluation, and molecular modeling of ribose-modified adenosine analogues as adenosine receptor agonists. J Med Chem 48:1550-62 (2005) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_BOVIN | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36602.99
Organism:
BOVINE
Description:
ADENOSINE 0 BOVINE::P28190
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
  
Inhibitor
Name:
BDBM50224770
Synonyms:
(2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol | CHEMBL251997
Type:
Small organic molecule
Emp. Form.:
C16H22ClN5O4
Mol. Mass.:
383.83
SMILES:
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Structure:
Search PDB for entries with ligand similarity: