Reaction Details Report a problem with these data
Target
P2X purinoceptor 1
Ligand
BDBM50422739
Substrate
n/a
Meas. Tech.
ChEMBL_321681 (CHEMBL872176)
IC50
63±n/a nM
Citation
 Ullmann, H; Meis, S; Hongwiset, D; Marzian, C; Wiese, M; Nickel, P; Communi, D; Boeynaems, JM; Wolf, C; Hausmann, R; Schmalzing, G; Kassack, MU Synthesis and structure-activity relationships of suramin-derived P2Y11 receptor antagonists with nanomolar potency. J Med Chem 48:7040-8 (2005) [PubMed]  Article 
Target
Name:
P2X purinoceptor 1
Synonyms:
ATP receptor | P2RX1 | P2RX1_HUMAN | P2X1 | Purinergic receptor | Purinergic, P2X
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44992.65
Organism:
Homo sapiens (Human)
Description:
Purinergic, P2X 0 HUMAN::P51575
Residue:
399
Sequence:
MARRFQEELAAFLFEYDTPRMVLVRNKKVGVIFRLIQLVVLVYVIGWVFLYEKGYQTSSGLISSVSVKLKGLAVTQLPGLGPQVWDVADYVFPAQGDNSFVVMTNFIVTPKQTQGYCAEHPEGGICKEDSGCTPGKAKRKAQGIRTGKCVAFNDTVKTCEIFGWCPVEVDDDIPRPALLREAENFTLFIKNSISFPRFKVNRRNLVEEVNAAHMKTCLFHKTLHPLCPVFQLGYVVQESGQNFSTLAEKGGVVGITIDWHCDLDWHVRHCRPIYEFHGLYEEKNLSPGFNFRFARHFVENGTNYRHLFKVFGIRFDILVDGKAGKFDIIPTMTTIGSGIGIFGVATVLCDLLLLHILPKRHYYKQKKFKYAEDMGPGAAERDLAATSSTLGLQENMRTS
  
Inhibitor
Name:
BDBM50422739
Synonyms:
CHEMBL413145
Type:
Small organic molecule
Emp. Form.:
C49H28F2N6O23S6
Mol. Mass.:
1299.163
SMILES:
[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(F)c(NC(=O)c4cccc(NC(=O)Nc5cccc(c5)C(=O)Nc5cc(ccc5F)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Structure:
Search PDB for entries with ligand similarity: