Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50006695
Substrate
n/a
Meas. Tech.
ChEBML_29291
Ki
1.3±n/a nM
Citation
 Shimada, J; Suzuki, F; Nonaka, H; Ishii, A; Ichikawa, S (E)-1,3-dialkyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthines: potent and selective adenosine A2 antagonists. J Med Chem 35:2342-5 (1992) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor | AA1R_CAVPO | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor | Adenosine Receptor A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36501.39
Organism:
GUINEA PIG
Description:
ADENOSINE A1 ADORA1 GUINEA PIG::P47745
Residue:
326
Sequence:
MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
  
Inhibitor
Name:
BDBM50006695
Synonyms:
8-(Octahydro-2,5-methano-pentalen-7-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione | CHEMBL77717
Type:
Small organic molecule
Emp. Form.:
C20H28N4O2
Mol. Mass.:
356.4619
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3CC1CC3C2 |TLB:6:17:19:24.25,6:17:21:24.23,THB:23:22:19:24.25,23:24:19:17.22.21,25:18:21:24.23,25:24:17.18.19:21,(-1.61,-5.86,;-1.61,-4.3,;-.27,-3.53,;-.27,-1.98,;1.08,-1.2,;2.55,-1.69,;3.48,-.43,;2.55,.83,;1.08,.34,;-.27,1.12,;-.27,2.68,;-1.6,.34,;-2.93,1.12,;-2.96,2.68,;-4.29,3.45,;-1.6,-1.2,;-2.93,-1.98,;5.02,-.4,;5.3,-3.04,;4.83,-1.82,;5.84,-.99,;6.17,.27,;7.49,.35,;7.96,-.87,;6.94,-1.7,;6.61,-2.96,)|
Structure:
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