Reaction Details Report a problem with these data
Target
P2X purinoceptor 2
Ligand
BDBM50413365
Substrate
n/a
Meas. Tech.
ChEMBL_562362 (CHEMBL1017976)
IC50
63±n/a nM
Citation
 Jahangir, A; Alam, M; Carter, DS; Dillon, MP; Bois, DJ; Ford, AP; Gever, JR; Lin, C; Wagner, PJ; Zhai, Y; Zira, J Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain. Bioorg Med Chem Lett 19:1632-5 (2009) [PubMed]  Article 
Target
Name:
P2X purinoceptor 2
Synonyms:
ATP receptor | P2RX2 | P2RX2_HUMAN | P2X2 | Purinergic receptor | PurinergicP2X2/3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51765.18
Organism:
Homo sapiens (Human)
Description:
PurinergicP2X2/3 0 HUMAN::Q9UBL9
Residue:
471
Sequence:
MAAAQPKYPAGATARRLARGCWSALWDYETPKVIVVRNRRLGVLYRAVQLLILLYFVWYVFIVQKSYQESETGPESSIITKVKGITTSEHKVWDVEEYVKPPEGGSVFSIITRVEATHSQTQGTCPESIRVHNATCLSDADCVAGELDMLGNGLRTGRCVPYYQGPSKTCEVFGWCPVEDGASVSQFLGTMAPNFTILIKNSIHYPKFHFSKGNIADRTDGYLKRCTFHEASDLYCPIFKLGFIVEKAGESFTELAHKGGVIGVIINWDCDLDLPASECNPKYSFRRLDPKHVPASSGYNFRFAKYYKINGTTTRTLIKAYGIRIDVIVHGQAGKFSLIPTIINLATALTSVGVGSFLCDWILLTFMNKNKVYSHKKFDKVCTPSHPSGSWPVTLARVLGQAPPEPGHRSEDQHPSPPSGQEGQQGAECGPAFPPLRPCPISAPSEQMVDTPASEPAQASTPTDPKGLAQL
  
Inhibitor
Name:
BDBM50413365
Synonyms:
CHEMBL492703
Type:
Small organic molecule
Emp. Form.:
C17H23IN4O3
Mol. Mass.:
458.294
SMILES:
COCCNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
Structure:
Search PDB for entries with ligand similarity: