Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50581964
Substrate
n/a
Meas. Tech.
ChEMBL_2152682 (CHEMBL5037229)
Ki
0.600000±n/a nM
Citation
 Trinh, PNH; Chong, DJW; Leach, K; Hill, SJ; Tyndall, JDA; May, LT; Vernall, AJ; Gregory, KJ Development of Covalent, Clickable Probes for Adenosine A J Med Chem 64:8161-8178 (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:
BDBM50581964
Synonyms:
CHEMBL5092788
Type:
Small organic molecule
Emp. Form.:
C34H43FN6O6S
Mol. Mass.:
682.805
SMILES:
CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C
Structure:
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