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Target
Adenosine receptor A1
Ligand
BDBM21221
Substrate
n/a
Meas. Tech.
ChEMBL_303550 (CHEMBL828801)
Ki
890±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:
BDBM21221
Synonyms:
(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | 2-Cl-IB-MECA | 2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide | C-IBzA-MU | C1-IB-MECA | CHEMBL431733 | CI-IB-MECA | Cl-IB-MECA | US20230364057, Compound 76
Type:
Small organic molecule
Emp. Form.:
C18H18ClIN6O4
Mol. Mass.:
544.731
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Structure:
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