Reaction Details Report a problem with these data
Target
P2X purinoceptor 4
Ligand
BDBM50026197
Substrate
n/a
Meas. Tech.
ChEMBL_2213102 (CHEMBL5126051)
IC50
<100000±n/a nM
Citation
 Isaak, A; Dobelmann, C; Füsser, FT; Erlitz, KS; Koch, O; Junker, A Unveiling the Structure-Activity Relationships at the Orthosteric Binding Site of P2X Ion Channels: The Route to Selectivity. J Med Chem 65:11291-11308 (2022) [PubMed] 
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:
BDBM50026197
Synonyms:
Adenosine 5'-triphosphate derivative | CHEMBL3142844
Type:
Small organic molecule
Emp. Form.:
C11H18N5O13P3
Mol. Mass.:
521.2076
SMILES:
CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: