Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50017981
Substrate
n/a
Meas. Tech.
ChEMBL_29270 (CHEMBL641205)
Ki
1.3±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:
BDBM50017981
Synonyms:
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-{2-[3-(4-isothiocyanato-phenyl)-thioureido]-ethyl}-acetamide | CHEMBL275635
Type:
Small organic molecule
Emp. Form.:
C29H32N8O4S2
Mol. Mass.:
620.746
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
Structure:
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