Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50523419
Substrate
n/a
Meas. Tech.
ChEMBL_1890312 (CHEMBL4392066)
Ki
15849±n/a nM
Citation
 Yang, X; van Veldhoven, JPD; Offringa, J; Kuiper, BJ; Lenselink, EB; Heitman, LH; van der Es, D; IJzerman, AP Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A J Med Chem 62:3539-3552 (2019) [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:
BDBM50523419
Synonyms:
CHEMBL4462442
Type:
Small organic molecule
Emp. Form.:
C24H27N5O6S
Mol. Mass.:
513.566
SMILES:
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(C)(=O)=O)c2nc3cc(OC)ccn3c2c1=O
Structure:
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