Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A1
LigandBDBM21221
Substrate/Competitorn/a
Meas. Tech.ChEMBL_818427
Ki 890±n/a nM
Citation Taliani, SPugliesi, IBarresi, ESimorini, FSalerno, SLa Motta, CMarini, AMCosimelli, BCosconati, SDi Maro, SMarinelli, LDaniele, STrincavelli, MLGreco, GNovellino, EMartini, CDa Settimo, F 3-aryl-[1,2,4]triazino[4,3-a]benzimidazol-4(10H)-one: a novel template for the design of highly selective A2B adenosine receptor antagonists. J Med Chem55:1490-9 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A1
Name:Adenosine receptor A1/Alpha-2A adrenergic receptor
Synonyms:A1 adenosine receptor (hA1) | A1AR | 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:
BDBM21221
NameBDBM21221
Synonyms:(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | 2-Cl-IB-MECA | 2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide | C-IBzA-MU | C1-IB-MECA | CHEMBL431733 | CI-IB-MECA | Cl-IB-MECA
TypeSmall organic molecule
Emp. Form.C18H18ClIN6O4
Mol. Mass.544.731
SMILESCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a