Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50231597
Substrate
n/a
Meas. Tech.
ChEMBL_1645459 (CHEMBL3994388)
Ki
13±n/a nM
Citation
 Koul, S; Ramdas, V; Barawkar, DA; Waman, YB; Prasad, N; Madadi, SK; Shejul, YD; Bonagiri, R; Basu, S; Menon, S; Reddy, SB; Chaturvedi, S; Chennamaneni, SR; Bedse, G; Thakare, R; Gundu, J; Chaudhary, S; De, S; Meru, AV; Palle, V; Chugh, A; Mookhtiar, KA Design and synthesis of novel, potent and selective hypoxanthine analogs as adenosine A Bioorg Med Chem 25:1963-1975 (2017) [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:
BDBM50231597
Synonyms:
CHEMBL4102409
Type:
Small organic molecule
Emp. Form.:
C20H24N4O3
Mol. Mass.:
368.4296
SMILES:
CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1
Structure:
Search PDB for entries with ligand similarity: