Reaction Details Report a problem with these data
Target
P2X purinoceptor 1
Ligand
BDBM50240455
Substrate
n/a
Meas. Tech.
ChEMBL_1981889 (CHEMBL4615151)
IC50
0.280000±n/a nM
Citation
 Tian, M; Abdelrahman, A; Baqi, Y; Fuentes, E; Azazna, D; Spanier, C; Densborn, S; Hinz, S; Schmid, R; Müller, CE Discovery and Structure Relationships of Salicylanilide Derivatives as Potent, Non-acidic P2X1 Receptor Antagonists. J Med Chem 63:6164-6178 (2020) [PubMed]  Article 
Target
Name:
P2X purinoceptor 1
Synonyms:
ATP receptor | P2RX1_RAT | P2X1 | P2rx1 | Purinergic receptor | Purinergic, P2X1 | RP-2 protein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44969.95
Organism:
RAT
Description:
Purinergic, P2X1 0 RAT::P47824
Residue:
399
Sequence:
MARRLQDELSAFFFEYDTPRMVLVRNKKVGVIFRLIQLVVLVYVIGWVFVYEKGYQTSSDLISSVSVKLKGLAVTQLQGLGPQVWDVADYVFPAHGDSSFVVMTNFIVTPQQTQGHCAENPEGGICQDDSGCTPGKAERKAQGIRTGNCVPFNGTVKTCEIFGWCPVEVDDKIPSPALLREAENFTLFIKNSISFPRFKVNRRNLVEEVNGTYMKKCLYHKIQHPLCPVFNLGYVVRESGQDFRSLAEKGGVVGITIDWKCDLDWHVRHCKPIYQFHGLYGEKNLSPGFNFRFARHFVQNGTNRRHLFKVFGIHFDILVDGKAGKFDIIPTMTTIGSGIGIFGVATVLCDLLLLHILPKRHYYKQKKFKYAEDMGPGEGEHDPVATSSTLGLQENMRTS
  
Inhibitor
Name:
BDBM50240455
Synonyms:
CHEMBL1253351
Type:
Small organic molecule
Emp. Form.:
C41H24N6Na8O29S8
Mol. Mass.:
1505.09
SMILES:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Structure:
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