Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50224771
Substrate
n/a
Meas. Tech.
ChEMBL_461281 (CHEMBL927305)
Ki
460±n/a nM
Citation
 Cappellacci, L; Franchetti, P; Vita, P; Petrelli, R; Lavecchia, A; Costa, B; Spinetti, F; Martini, C; Klotz, KN; Grifantini, M 5'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivity for A1 receptor from different species. Bioorg Med Chem 16:336-53 (2008) [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:
BDBM50224771
Synonyms:
2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl-5-N-cyclopentylthiocarbamoyl-beta-D-ribofuranosyl)adenine | CHEMBL251799
Type:
Small organic molecule
Emp. Form.:
C21H29ClN6O5S
Mol. Mass.:
513.01
SMILES:
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Structure:
Search PDB for entries with ligand similarity: