Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50017999
Substrate
n/a
Meas. Tech.
ChEMBL_29271 (CHEMBL641206)
Ki
6.2±n/a nM
Citation
 Jacobson, KA; Barone, S; Kammula, U; Stiles, GL Electrophilic derivatives of purines as irreversible inhibitors of A1 adenosine receptors. J Med Chem 32:1043-51 (1989) [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:
BDBM50017999
Synonyms:
6-Oxo-heptanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethyl)-amide | CHEMBL9335
Type:
Small organic molecule
Emp. Form.:
C28H38N6O6
Mol. Mass.:
554.6379
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1
Structure:
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