Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50112198
Substrate
n/a
Meas. Tech.
ChEMBL_29011 (CHEMBL643485)
Ki
112±n/a nM
Citation
 Van Calenbergh, S; Link, A; Fujikawa, S; de Ligt, RA; Vanheusden, V; Golisade, A; Blaton, NM; Rozenski, J; IJzerman, AP; Herdewijn, P 5'-Deoxy congeners of 9-(3-amido-3-deoxy-beta-D-xylofuranosyl)-N(6)-cyclopentyladenine: new adenosine A(1) receptor antagonists and inverse agonists. J Med Chem 45:1845-52 (2002) [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:
BDBM50112198
Synonyms:
CHEMBL55099 | N-[5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-3-fluoro-4-methyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C23H27FN6O4
Mol. Mass.:
470.4967
SMILES:
Cc1ccc(cc1F)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Structure:
Search PDB for entries with ligand similarity: