Reaction Details Report a problem with these data
Target
P2X purinoceptor 3
Ligand
BDBM50415592
Substrate
n/a
Meas. Tech.
ChEMBL_612711 (CHEMBL1069583)
IC50
1995.26±n/a nM
Citation
 Brotherton-Pleiss, CE; Dillon, MP; Ford, AP; Gever, JR; Carter, DS; Gleason, SK; Lin, CJ; Moore, AG; Thompson, AW; Villa, M; Zhai, Y Discovery and optimization of RO-85, a novel drug-like, potent, and selective P2X3 receptor antagonist. Bioorg Med Chem Lett 20:1031-6 (2010) [PubMed]  Article 
Target
Name:
P2X purinoceptor 3
Synonyms:
ATP receptor | P2RX3_RAT | P2X purinoceptor 3 | P2X3 | P2rx3 | Purinergic receptor | ratp2x3 | ratp2x3 + rsa
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44397.63
Organism:
RAT
Description:
Purinergic, P2X3 0 RAT::P49654
Residue:
397
Sequence:
MNCISDFFTYETTKSVVVKSWTIGIINRAVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGFGRYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPENEEKYRCVSDSQCGPERFPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVEMPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTDKDIKRCRFHPEKAPFCPILRVGDVVKFAGQDFAKLARTGGVLGIKIGWVCDLDKAWDQCIPKYSFTRLDGVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKAFGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADHYKARKFEEVTETTLKGTASTNPVFASDQATVEKQSTDSGAYSIGH
  
Inhibitor
Name:
BDBM50415592
Synonyms:
CHEMBL599335
Type:
Small organic molecule
Emp. Form.:
C25H29N7OS
Mol. Mass.:
475.609
SMILES:
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: