Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50455530
Substrate
n/a
Meas. Tech.
ChEMBL_1754730 (CHEMBL4189490)
Ki
87±n/a nM
Citation
 Köse, M; Gollos, S; Karcz, T; Fiene, A; Heisig, F; Behrenswerth, A; Kie?-Kononowicz, K; Namasivayam, V; Müller, CE Fluorescent-Labeled Selective Adenosine A J Med Chem 61:4301-4316 (2018) [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:
BDBM50455530
Synonyms:
CHEMBL2413248
Type:
Small organic molecule
Emp. Form.:
C46H40ClN11O12S2
Mol. Mass.:
1038.459
SMILES:
Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |(2.4,-1.39,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-4,5.39,;-2.67,6.16,;-1.34,5.39,;-1.33,3.85,;0,3.09,;.01,1.86,;1.07,3.71,;-2.67,7.7,;-3.74,8.32,;-1.34,8.47,;-1.34,10.01,;-0,10.78,;-0,12.32,;1.33,13.1,;1.33,14.64,;2.67,15.41,;2.67,16.95,;3.91,17.83,;3.43,19.3,;4.33,20.54,;3.7,21.95,;4.6,23.2,;3.97,24.61,;2.75,24.73,;4.87,25.86,;4.24,27.26,;2.71,27.41,;2.08,28.82,;.55,28.97,;-.09,30.37,;.81,31.63,;.3,32.75,;2.34,31.47,;2.98,30.07,;4.51,29.92,;5.65,30.95,;6.98,30.19,;6.67,28.68,;5.14,28.51,;8.39,30.82,;9.64,29.94,;10.86,30.89,;10.33,32.34,;8.8,32.29,;1.89,19.29,;1.42,17.83,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-7.74,-1.39,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;0,-4.31,;-1.07,-3.7,;1.07,-3.7,;-5.33,-3.08,;-5.33,-4.31,;-6.4,-3.7,;-4.27,-3.7,)|
Structure:
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