| Reaction Details |
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 | Report a problem with these data |
| Target | P2X purinoceptor 2/3 |
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| Ligand | BDBM320016 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Intracellular Calcium Measurement to Assess Antagonist Activity |
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| IC50 | 398±n/a nM |
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| Citation |  Davenport, AJ; Bräuer, N; Fischer, OM; Rotgeri, A; Rottmann, A; Neagoe, I; Nagel, J; Godinho-Coelho, A; Klar, J 1,3-thiazol-2-yl substituted benzamides US Patent US10202369 Publication Date 2/12/2019 |
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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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| BDBM320016 |
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| n/a |
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| Name | BDBM320016 |
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| Synonyms: | Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(5- methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[6- (trifluoromethyl) pyridazin-3- yl]ethyl}benzamide | US10174016, Example 183 | US10202369, Example 230 | US10472354, Example 231 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H23F3N4O3S |
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| Mol. Mass. | 480.503 |
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| SMILES | CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r| |
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| Structure | 
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