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Target
Adenosine receptor A1
Ligand
BDBM50299696
Substrate
n/a
Meas. Tech.
ChEMBL_588661 (CHEMBL1056071)
Ki
800±n/a nM
Citation
 Mathew, SC; Ghosh, N; By, Y; Berthault, A; Virolleaud, MA; Carrega, L; Chouraqui, G; Commeiras, L; Condo, J; Attolini, M; Gaudel-Siri, A; Ruf, J; Parrain, JL; Rodriguez, J; Guieu, R Design, synthesis and biological evaluation of a bivalent micro opiate and adenosine A1 receptor antagonist. Bioorg Med Chem Lett 19:6736-9 (2009) [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:
BDBM50299696
Synonyms:
(2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-yl)-3,4-dihydroxy-N-(1-(4-(N-(1-phenethylpiperidin-4-yl)propionamido)phenyl)ethyl)tetrahydrofuran-2-carboxamide | CHEMBL572393
Type:
Small organic molecule
Emp. Form.:
C39H50N8O5
Mol. Mass.:
710.8649
SMILES:
CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 |r|
Structure:
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