Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50047157
Substrate
n/a
Meas. Tech.
ChEBML_29455
Ki
3330±n/a nM
Citation
Jacobson, KA; Gallo-Rodriguez, C; Melman, N; Fischer, B; Maillard, M; van Bergen, A; van Galen, PJ; Karton, Y Structure-activity relationships of 8-styrylxanthines as A2-selective adenosine antagonists. J Med Chem 36:1333-42 (1993) [PubMed] Article
More Info.:
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:
BDBM50047157
Synonyms:
(E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylxanthine (4e) | 1,3,7-Trimethyl-8-[2-(3-trifluoromethyl-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione | CHEMBL28267
Type:
Small organic molecule
Emp. Form.:
C17H15F3N4O2
Mol. Mass.:
364.3218
SMILES:
Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12