Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50106543
Substrate
n/a
Meas. Tech.
ChEMBL_29150 (CHEMBL639430)
Ki
18±n/a nM
Citation
 Gallo-Rodriguez, C; Ji, XD; Melman, N; Siegman, BD; Sanders, LH; Orlina, J; Fischer, B; Pu, Q; Olah, ME; van Galen, PJ Structure-activity relationships of N6-benzyladenosine-5'-uronamides as A3-selective adenosine agonists. J Med Chem 37:636-46 (1994) [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:
BDBM50106543
Synonyms:
5-[6-(4-Amino-3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide | CHEMBL133566 | IAB-MECA
Type:
Small organic molecule
Emp. Form.:
C18H20IN7O4
Mol. Mass.:
525.3004
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
Structure:
Search PDB for entries with ligand similarity: