Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50017996
Substrate
n/a
Meas. Tech.
ChEMBL_28980 (CHEMBL640782)
Ki
23±n/a nM
Citation
 Jacobson, KA; Barone, S; Kammula, U; Stiles, GL Electrophilic derivatives of purines as irreversible inhibitors of A1 adenosine receptors. J Med Chem 32:1043-51 (1989) [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:
BDBM50017996
Synonyms:
4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-N-[(2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-methyl]-butyramide | CHEMBL9621
Type:
Small organic molecule
Emp. Form.:
C31H38N8O8
Mol. Mass.:
650.6822
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=O)CCCN2C(=O)C=CC2=O)cc1 |c:43|
Structure:
Search PDB for entries with ligand similarity: