Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50051658
Substrate
n/a
Meas. Tech.
ChEMBL_29636 (CHEMBL639743)
Ki
640±n/a nM
Citation
 Müller, CE; Geis, U; Grahner, B; Lanzner, W; Eger, K Chiral pyrrolo[2,3-d]pyrimidine and pyrimido[4,5-b]indole derivatives: structure-activity relationships of potent, highly stereoselective A1-adenosine receptor antagonists. J Med Chem 39:2482-91 (1996) [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:
BDBM50051658
Synonyms:
(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-((S)-1-phenyl-ethyl)-amine | CHEMBL79386
Type:
Small organic molecule
Emp. Form.:
C22H22N4
Mol. Mass.:
342.4369
SMILES:
C[C@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: