Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50580162
Substrate
n/a
Meas. Tech.
ChEMBL_2147327 (CHEMBL5031673)
Ki
2450±n/a nM
Citation
 Lee, Y; Hou, X; Lee, JH; Nayak, A; Alexander, V; Sharma, PK; Chang, H; Phan, K; Gao, ZG; Jacobson, KA; Choi, S; Jeong, LS Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A J Med Chem 64:12525-12536 (2021) [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:
BDBM50580162
Synonyms:
CHEMBL5086261
Type:
Small organic molecule
Emp. Form.:
C16H17IN6OS
Mol. Mass.:
468.315
SMILES:
N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: