Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50438370
Substrate
n/a
Meas. Tech.
ChEMBL_1754729 (CHEMBL4189489)
Ki
4.3±n/a nM
Citation
 Köse, M; Gollos, S; Karcz, T; Fiene, A; Heisig, F; Behrenswerth, A; Kie?-Kononowicz, K; Namasivayam, V; Müller, CE Fluorescent-Labeled Selective Adenosine A J Med Chem 61:4301-4316 (2018) [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:
BDBM50438370
Synonyms:
CHEMBL2413101
Type:
Small organic molecule
Emp. Form.:
C34H33N11O9
Mol. Mass.:
739.6941
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNc5ccc([N+]([O-])=O)c6nonc56)cc4)cc3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: