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Target
Adenosine receptor A1
Ligand
BDBM50561598
Substrate
n/a
Meas. Tech.
ChEMBL_2075490 (CHEMBL4731024)
Ki
3980±n/a nM
Citation
 Tosh, DK; Salmaso, V; Rao, H; Campbell, R; Bitant, A; Gao, ZG; Auchampach, JA; Jacobson, KA Direct Comparison of (N)-Methanocarba and Ribose-Containing 2-Arylalkynyladenosine Derivatives as A ACS Med Chem Lett 11:1935-1941 (2020) [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:
BDBM50561598
Synonyms:
CHEMBL4791368
Type:
Small organic molecule
Emp. Form.:
C22H23FN6O3S
Mol. Mass.:
470.52
SMILES:
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)nc(nc12)C#Cc1ccc(F)s1)C(=O)NC |r|
Structure:
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