Reaction Details  Report a problem with these data
Target
P2X purinoceptor 1
Ligand
BDBM50179360
Substrate
n/a
Meas. Tech.
ChEMBL_1981889 (CHEMBL4615151)
IC50
1000±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:
BDBM50179360
Synonyms:
CHEMBL3040216
Type:
Small organic molecule
Emp. Form.:
C51H40N6O23S6
Mol. Mass.:
1297.28
SMILES:
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Structure:
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