Reaction Details |
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Target | P2X purinoceptor 2/3 |
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Ligand | BDBM50594499 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2213101 (CHEMBL5126050) |
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IC50 | 692±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 |
Synonyms: | P2X2/3 | P2X2/P2X3 heterotrimeric receptor |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
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: | MAAAQPKYPAGATARRLARGCWSALWDYETPKVIVVRNRRLGVLYRAVQLLILLYFVWYV
FIVQKSYQESETGPESSIITKVKGITTSEHKVWDVEEYVKPPEGGSVFSIITRVEATHSQ
TQGTCPESIRVHNATCLSDADCVAGELDMLGNGLRTGRCVPYYQGPSKTCEVFGWCPVED
GASVSQFLGTMAPNFTILIKNSIHYPKFHFSKGNIADRTDGYLKRCTFHEASDLYCPIFK
LGFIVEKAGESFTELAHKGGVIGVIINWDCDLDLPASECNPKYSFRRLDPKHVPASSGYN
FRFAKYYKINGTTTRTLIKAYGIRIDVIVHGQAGKFSLIPTIINLATALTSVGVGSFLCD
WILLTFMNKNKVYSHKKFDKVCTPSHPSGSWPVTLARVLGQAPPEPGHRSEDQHPSPPSG
QEGQQGAECGPAFPPLRPCPISAPSEQMVDTPASEPAQASTPTDPKGLAQL
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Component 2 |
Name: | P2X purinoceptor 3 |
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 |
Type: | Protein |
Mol. Mass.: | 44292.02 |
Organism: | Homo sapiens (Human) |
Description: | P56373 |
Residue: | 397 |
Sequence: | MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSV
VTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDS
QCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIR
FPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLG
IKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKA
FGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADQYKAKKFEE
VNETTLKIAALTNPVYPSDQTTAEKQSTDSGAFSIGH
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BDBM50594499 |
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n/a |
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Name | BDBM50594499 |
Synonyms: | CHEMBL5171786 |
Type | Small organic molecule |
Emp. Form. | C14H24N5O13P3 |
Mol. Mass. | 563.2873 |
SMILES | CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| |
Structure |
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