| Reaction Details |
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 | Report a problem with these data |
| Target | P2X purinoceptor 2/3 |
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| Ligand | BDBM50594503 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2213101 (CHEMBL5126050) |
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| IC50 | <100000±n/a nM |
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| 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 Chem65:11291-11308 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| P2X purinoceptor 2/3 |
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| Name: | P2X purinoceptor 2/3 |
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| Synonyms: | P2X2/3 | P2X2/P2X3 heterotrimeric receptor |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | P2X purinoceptor 2 |
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| Synonyms: | ATP receptor | P2RX2 | P2RX2_HUMAN | P2X2 | Purinergic receptor | PurinergicP2X2/3 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 51765.18 |
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| Organism: | Homo sapiens (Human) |
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| Description: | PurinergicP2X2/3 0 HUMAN::Q9UBL9 |
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| Residue: | 471 |
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| Sequence: | MAAAQPKYPAGATARRLARGCWSALWDYETPKVIVVRNRRLGVLYRAVQLLILLYFVWYV
FIVQKSYQESETGPESSIITKVKGITTSEHKVWDVEEYVKPPEGGSVFSIITRVEATHSQ
TQGTCPESIRVHNATCLSDADCVAGELDMLGNGLRTGRCVPYYQGPSKTCEVFGWCPVED
GASVSQFLGTMAPNFTILIKNSIHYPKFHFSKGNIADRTDGYLKRCTFHEASDLYCPIFK
LGFIVEKAGESFTELAHKGGVIGVIINWDCDLDLPASECNPKYSFRRLDPKHVPASSGYN
FRFAKYYKINGTTTRTLIKAYGIRIDVIVHGQAGKFSLIPTIINLATALTSVGVGSFLCD
WILLTFMNKNKVYSHKKFDKVCTPSHPSGSWPVTLARVLGQAPPEPGHRSEDQHPSPPSG
QEGQQGAECGPAFPPLRPCPISAPSEQMVDTPASEPAQASTPTDPKGLAQL
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| Component 2 |
| Name: | P2X purinoceptor 3 |
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| Synonyms: | ATP receptor | Glucocorticoid receptor | P2RX3 | P2RX3_HUMAN | P2X purinoceptor 3 | P2X purinoceptor 3 (P2RX3) | P2X purinoceptor 3 (P2X3) | P2X3 | P2X3 purinoceptor | Purinergic receptor | p2x3 + hsa |
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| Type: | Protein |
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| Mol. Mass.: | 44292.02 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P56373 |
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| Residue: | 397 |
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| Sequence: | MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSV
VTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDS
QCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIR
FPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLG
IKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKA
FGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADQYKAKKFEE
VNETTLKIAALTNPVYPSDQTTAEKQSTDSGAFSIGH
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| BDBM50594503 |
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| n/a |
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| Name | BDBM50594503 |
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| Synonyms: | CHEMBL4567276 |
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| Type | Small organic molecule |
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| Emp. Form. | C10H15N8O13P3 |
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| Mol. Mass. | 548.1932 |
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| SMILES | Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r| |
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| Structure | 
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