Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50163399
Substrate
n/a
Meas. Tech.
ChEMBL_303304 (CHEMBL840030)
Ki
1000±n/a nM
Citation
 Vu, CB; Pan, D; Peng, B; Kumaravel, G; Smits, G; Jin, X; Phadke, D; Engber, T; Huang, C; Reilly, J; Tam, S; Grant, D; Hetu, G; Petter, RC Novel diamino derivatives of [1,2,4]triazolo[1,5-a][1,3,5]triazine as potent and selective adenosine A2a receptor antagonists. J Med Chem 48:2009-18 (2005) [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:
BDBM50163399
Synonyms:
CHEMBL177943 | N*5*-[(R)-1-(2,4-Difluoro-benzyl)-pyrrolidin-2-ylmethyl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Type:
Small organic molecule
Emp. Form.:
C20H20F2N8O
Mol. Mass.:
426.4226
SMILES:
Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: