Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50438368
Substrate
n/a
Meas. Tech.
ChEMBL_976686 (CHEMBL2417092)
Ki
17±n/a nM
Citation
 Kozma, E; Jayasekara, PS; Squarcialupi, L; Paoletta, S; Moro, S; Federico, S; Spalluto, G; Jacobson, KA Fluorescent ligands for adenosine receptors. Bioorg Med Chem Lett 23:26-36 (2012) [PubMed]  Article
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_BOVIN | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36602.99
Organism:
BOVINE
Description:
ADENOSINE 0 BOVINE::P28190
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
  
Inhibitor
Name:
BDBM50438368
Synonyms:
CHEMBL2413239
Type:
Small organic molecule
Emp. Form.:
C48H51N9O12S
Mol. Mass.:
978.037
SMILES:
CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)NCC(=O)NCC(=O)NCC(=S)c2ccc(C3C4C=CC(=O)C=C4Oc4cc(O)ccc34)c(c2)C(O)=O)cc1 |c:51,55|
Structure:
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