Reaction Details Report a problem with these data
Target
P2X purinoceptor 2
Ligand
BDBM50594506
Substrate
n/a
Meas. Tech.
ChEMBL_2213106 (CHEMBL5126055)
IC50
10000±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 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:
BDBM50594506
Synonyms:
CHEMBL5183218
Type:
Small organic molecule
Emp. Form.:
C32H28N5O15P3
Mol. Mass.:
815.5105
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Structure:
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