Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50094601
Substrate
n/a
Meas. Tech.
ChEMBL_29641 (CHEMBL639748)
Ki
2600±n/a nM
Citation
 Hess, S; Müller, CE; Frobenius, W; Reith, U; Klotz, KN; Eger, K 7-Deazaadenines bearing polar substituents: structure-activity relationships of new A(1) and A(3) adenosine receptor antagonists. J Med Chem 43:4636-46 (2001) [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:
BDBM50094601
Synonyms:
2-[2-(4-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino]-butan-1-ol | CHEMBL143586
Type:
Small organic molecule
Emp. Form.:
C26H29ClN4O
Mol. Mass.:
448.988
SMILES:
CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: