Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50138533
Substrate
n/a
Meas. Tech.
ChEMBL_29575 (CHEMBL640233)
Ki
3612±n/a nM
Citation
 Morrison, CF; Elzein, E; Jiang, B; Ibrahim, PN; Marquart, T; Palle, V; Shenk, KD; Varkhedkar, V; Maa, T; Wu, L; Wu, Y; Zeng, D; Fong, I; Lustig, D; Leung, K; Zablocki, JA Structure-affinity relationships of 5'-aromatic ethers and 5'-aromatic sulfides as partial A1 adenosine agonists, potential supraventricular anti-arrhythmic agents. Bioorg Med Chem Lett 14:3793-7 (2004) [PubMed]  Article
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor | AA1R_CAVPO | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor | Adenosine Receptor A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36501.39
Organism:
GUINEA PIG
Description:
ADENOSINE A1 ADORA1 GUINEA PIG::P47745
Residue:
326
Sequence:
MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
  
Inhibitor
Name:
BDBM50138533
Synonyms:
CHEMBL150950 | Methyl-carbamic acid (2R,3R,5R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester | Methyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester
Type:
Small organic molecule
Emp. Form.:
C16H22N6O6
Mol. Mass.:
394.3825
SMILES:
CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Structure:
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