Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50088428
Substrate
n/a
Meas. Tech.
ChEMBL_303105 (CHEMBL829615)
Ki
65±n/a nM
Citation
 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA (N)-methanocarba 2,N6-disubstituted adenine nucleosides as highly potent and selective A3 adenosine receptor agonists. J Med Chem 48:1745-58 (2005) [PubMed]  Article
Target
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:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50088428
Synonyms:
(1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol | 4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol | 4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-1-hydroxymethyl-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol | CHEMBL27809
Type:
Small organic molecule
Emp. Form.:
C19H19ClIN5O3
Mol. Mass.:
527.743
SMILES:
OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Structure:
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