Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A1
LigandBDBM50581961
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2152682 (CHEMBL5037229)
Ki 2.2±n/a nM
Citation Trinh, PNHChong, DJWLeach, KHill, SJTyndall, JDAMay, LTVernall, AJGregory, KJ Development of Covalent, Clickable Probes for Adenosine A J Med Chem64:8161-8178 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A1
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:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50581961
n/a
NameBDBM50581961
Synonyms:CHEMBL5088372
TypeSmall organic molecule
Emp. Form.C36H50FN9O9S
Mol. Mass.803.901
SMILESCCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-]
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: