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Target
Adenosine receptor A1
Ligand
BDBM6643
Substrate
n/a
Meas. Tech.
ChEMBL_859654 (CHEMBL2168891)
Ki
510±n/a nM
Citation
 van Westen, GJ; van den Hoven, OO; van der Pijl, R; Mulder-Krieger, T; de Vries, H; Wegner, JK; Ijzerman, AP; van Vlijmen, HW; Bender, A Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. J Med Chem 55:7010-20 (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:
BDBM6643
Synonyms:
2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile | 4-Aryl-2-aminopyridine deriv. 10
Type:
Small organic molecule
Emp. Form.:
C15H10N4O3
Mol. Mass.:
294.2649
SMILES:
COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Structure:
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