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Target
Adenosine receptor A1
Ligand
BDBM50176058
Substrate
n/a
Meas. Tech.
ChEMBL_958100 (CHEMBL2384074)
Ki
72±n/a nM
Citation
 Jörg, M; Shonberg, J; Mak, FS; Miller, ND; Yuriev, E; Scammells, PJ; Capuano, B Novel adenosine A(2A) receptor ligands: a synthetic, functional and computational investigation of selected literature adenosine A(2A) receptor antagonists for extending into extracellular space. Bioorg Med Chem Lett 23:3427-33 (2013) [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:
BDBM50176058
Synonyms:
2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine | 2-butyl-9-methyl-8-(2H-1,2,3-triazol-2-yl)-9H-purin-6-amine | CHEMBL197669 | ST-1535
Type:
Small organic molecule
Emp. Form.:
C12H16N8
Mol. Mass.:
272.309
SMILES:
CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Structure:
Search PDB for entries with ligand similarity: