Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50520046
Substrate
n/a
Meas. Tech.
ChEMBL_1878954 (CHEMBL4380348)
Ki
36±n/a nM
Citation
 Ballante, F; Rudling, A; Zeifman, A; Luttens, A; Vo, DD; Irwin, JJ; Kihlberg, J; Brea, J; Loza, MI; Carlsson, J Docking Finds GPCR Ligands in Dark Chemical Matter. J Med Chem 63:613-620 (2020) [PubMed]  Article 
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:
BDBM50520046
Synonyms:
CHEMBL1340426
Type:
Small organic molecule
Emp. Form.:
C13H10N4O2
Mol. Mass.:
254.2441
SMILES:
Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: