Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A1
LigandBDBM50369988
Substrate/Competitorn/a
Meas. Tech.ChEMBL_29318
Ki 0.840±n/a nM
Citation Rieger JMBrown MLSullivan GWLinden JMacdonald TL Design, synthesis, and evaluation of novel A2A adenosine receptor agonists. J Med Chem 44:531-9 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A1
Name:Adenosine receptor
Synonyms:ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptors A1
Type:Protein
Mol. Mass.:36704.13
Organism:Rattus norvegicus (rat)
Description:n/a
Residue:326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
QRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFL
KIWNDHFRCQPKPPIDEDLPEEKAED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50369988
n/a
NameBDBM50369988
Synonyms:CHEMBL611583
TypeSmall organic molecule
Emp. Form.C20H30N6O5
Mol. Mass.434.4894
SMILESCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CO)CC3)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.31,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;10.1,-9.32,;11.43,-10.09,;8.78,-7.01,;8.78,-5.48,;7.43,-3.17,;6.11,-2.41,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: