Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50094689
Substrate
n/a
Meas. Tech.
ChEMBL_28205 (CHEMBL637698)
Ki
1015±n/a nM
Citation
 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as highly potent and selective human A(3) adenosine receptor antagonists: influence of the chain at the N(8) pyrazole nitrogen. J Med Chem 43:4768-80 (2000) [PubMed]
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50094689
Synonyms:
1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea | 1-(8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea | CHEMBL344724
Type:
Small organic molecule
Emp. Form.:
C21H19ClN8O2
Mol. Mass.:
450.881
SMILES:
CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: