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Reaction Details
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TargetAdenosine A1 receptor
LigandBDBM50006695
Substrate/Competitorn/a
Meas. Tech.ChEBML_29291
Ki 1.3±n/a nM
Citation Shimada, JSuzuki, FNonaka, HIshii, AIchikawa, S (E)-1,3-dialkyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthines: potent and selective adenosine A2 antagonists. J Med Chem35:2342-5 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine A1 receptor
Name:Adenosine A1 receptor
Synonyms:A1 adenosine receptor | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine Receptor A1
Type:Enzyme Catalytic Domain
Mol. Mass.:36501.39
Organism:GUINEA PIG
Description:ADENOSINE A1 ADORA1 GUINEA PIG::P47745
Residue:326
Sequence:
MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
PRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPEPPIDEDLPEEKVDD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50006695
NameBDBM50006695
Synonyms:8-(Octahydro-2,5-methano-pentalen-7-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione | CHEMBL77717
TypeSmall organic molecule
Emp. Form.C20H28N4O2
Mol. Mass.356.4619
SMILESCCCn1c2nc([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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