Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50015651
Substrate
n/a
Meas. Tech.
ChEBML_28846
Ki
12100±n/a nM
Citation
 Hutchison, AJ; Williams, M; de Jesus, R; Yokoyama, R; Oei, HH; Ghai, GR; Webb, RL; Zoganas, HC; Stone, GA; Jarvis, MF 2-(Arylalkylamino)adenosin-5'-uronamides: a new class of highly selective adenosine A2 receptor ligands. J Med Chem 33:1919-24 (1990) [PubMed]
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:
BDBM50015651
Synonyms:
(2S,3S,4R)-5-[(R)-6-Amino-2-(methyl-phenethyl-amino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide | CHEMBL2374463
Type:
Small organic molecule
Emp. Form.:
C21H27N7O4
Mol. Mass.:
441.4836
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N(C)CCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: