Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50595579
Substrate
n/a
Meas. Tech.
ChEMBL_2217053 (CHEMBL5130185)
Ki
392±n/a nM
Citation
 Shiriaeva, A; Park, D; Kim, G; Lee, Y; Hou, X; Jarhad, DB; Kim, G; Yu, J; Hyun, YE; Kim, W; Gao, ZG; Jacobson, KA; Han, GW; Stevens, RC; Jeong, LS; Choi, S; Cherezov, V GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A J Med Chem 65:11648-11657 (2022) [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:
BDBM50595579
Synonyms:
CHEMBL5203469
Type:
Small organic molecule
Emp. Form.:
C19H21N5O3S
Mol. Mass.:
399.467
SMILES:
CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
Structure:
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