Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50007845
Substrate
n/a
Meas. Tech.
ChEBML_27567
Ki
8±n/a nM
Citation
 Katsushima, T; Nieves, L; Wells, JN Structure-activity relationships of 8-cycloalkyl-1,3-dipropylxanthines as antagonists of adenosine receptors. J Med Chem 33:1906-10 (1990) [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:
BDBM50007845
Synonyms:
CHEMBL134837 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexylmethyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C20H31N5O3
Mol. Mass.:
389.4918
SMILES:
CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
Structure:
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