Reaction Details Report a problem with these data
Target
P2X purinoceptor 4
Ligand
BDBM50506157
Substrate
n/a
Meas. Tech.
ChEMBL_1824988 (CHEMBL4324752)
IC50
37±n/a nM
Citation
 Werner, S; Mesch, S; Hillig, RC; Ter Laak, A; Klint, J; Neagoe, I; Laux-Biehlmann, A; Dahllöf, H; Bräuer, N; Puetter, V; Nubbemeyer, R; Schulz, S; Bairlein, M; Zollner, TM; Steinmeyer, A Discovery and Characterization of the Potent and Selective P2X4 Inhibitor  J Med Chem 62:11194-11217 (2019) [PubMed]  Article 
Target
Name:
P2X purinoceptor 4
Synonyms:
ATP receptor | P2RX4 | P2RX4_HUMAN | P2X4 | Purinergic receptor | Purinergic, P2X4
Type:
Enzyme Catalytic Domain
Mol. Mass.:
43374.70
Organism:
Homo sapiens (Human)
Description:
Purinergic, P2X4 0 HUMAN::Q99571
Residue:
388
Sequence:
MAGCCAALAAFLFEYDTPRIVLIRSRKVGLMNRAVQLLILAYVIGWVFVWEKGYQETDSVVSSVTTKVKGVAVTNTSKLGFRIWDVADYVIPAQEENSLFVMTNVILTMNQTQGLCPEIPDATTVCKSDASCTAGSAGTHSNGVSTGRCVAFNGSVKTCEVAAWCPVEDDTHVPQPAFLKAAENFTLLVKNNIWYPKFNFSKRNILPNITTTYLKSCIYDAKTDPFCPIFRLGKIVENAGHSFQDMAVEGGIMGIQVNWDCNLDRAASLCLPRYSFRRLDTRDVEHNVSPGYNFRFAKYYRDLAGNEQRTLIKAYGIRFDIIVFGKAGKFDIIPTMINIGSGLALLGMATVLCDIIVLYCMKKRLYYREKKYKYVEDYEQGLASELDQ
  
Inhibitor
Name:
BDBM50506157
Synonyms:
CHEMBL4517831
Type:
Small organic molecule
Emp. Form.:
C20H22ClFN2O5S
Mol. Mass.:
456.915
SMILES:
NS(=O)(=O)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccc1OCC1CCOCC1
Structure:
Search PDB for entries with ligand similarity: