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Target
Adenosine receptor A1
Ligand
BDBM50100423
Substrate
n/a
Meas. Tech.
ChEMBL_833201 (CHEMBL2067492)
Ki
700±n/a nM
Citation
 Tosh, DK; Deflorian, F; Phan, K; Gao, ZG; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. J Med Chem 55:4847-60 (2012) [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:
BDBM50100423
Synonyms:
(1S,2R,3S,4R,5S)-2,3-Dihydroxy-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide | 1N-methyl-2,3-dihydroxy-4-[6-(3-iodobenzylamino)-9H-9-purinyl]-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide | CHEMBL280580
Type:
Small organic molecule
Emp. Form.:
C20H21IN6O3
Mol. Mass.:
520.3236
SMILES:
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Structure:
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