Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A1
LigandBDBM50086166
Substrate/Competitorn/a
Meas. Tech.ChEMBL_330276 (CHEMBL853018)
Ki 63.1±n/a nM
Citation Carotti, ACadavid, MICenteno, NBEsteve, CLoza, MIMartinez, ANieto, RRaviña, ESanz, FSegarra, VSotelo, EStefanachi, AVidal, B Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor. J Med Chem49:282-99 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A1
Name:Adenosine receptor A1
Synonyms:A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:36520.92
Organism:Homo sapiens (Human)
Description:P30542
Residue:326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50086166
n/a
NameBDBM50086166
Synonyms:CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide | N-benzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide
TypeSmall organic molecule
Emp. Form.C26H29N5O4
Mol. Mass.475.5396
SMILESCCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: