Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50533830
Substrate
n/a
Meas. Tech.
ChEMBL_1927386 (CHEMBL4430458)
Ki
>1000±n/a nM
Citation
 Köse, M; Schiedel, AC; Bauer, AA; Poschenrieder, H; Burbiel, JC; Akkinepally, RR; Stachel, HD; Müller, CE Focused screening to identify new adenosine kinase inhibitors. Bioorg Med Chem 24:5127-5133 (2016) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50533830
Synonyms:
CHEMBL4460655
Type:
Small organic molecule
Emp. Form.:
C15H14N6S
Mol. Mass.:
310.377
SMILES:
CCCc1nc2n(ncc2c2n[nH]c(=S)n12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: