Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50377681
Substrate
n/a
Meas. Tech.
ChEMBL_479902 (CHEMBL935755)
Ki
45±n/a nM
Citation
 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA Design of (N)-methanocarba adenosine 5'-uronamides as species-independent A3 receptor-selective agonists. Bioorg Med Chem Lett 18:2813-9 (2008) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_MOUSE | Adenosine A1 receptor | Adenosine receptor A1 | Adora1
Type:
PROTEIN
Mol. Mass.:
36646.06
Organism:
Mus musculus
Description:
ChEMBL_479902
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIEEDIPEEKADD
  
Inhibitor
Name:
BDBM50377681
Synonyms:
CHEMBL257573
Type:
Small organic molecule
Emp. Form.:
C30H35ClN8O5
Mol. Mass.:
623.103
SMILES:
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCNC(C)=O)nc(Cl)nc12
Structure:
Search PDB for entries with ligand similarity: