Reaction Details |
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Target | P2X purinoceptor 2/3 |
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Ligand | BDBM320037 |
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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 | 82.0±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 |
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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BDBM320037 |
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n/a |
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Name | BDBM320037 |
Synonyms: | 3-{[3- fluoropiperidin- 4-yl]oxy}-5-(5- methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide, as a mixture of cis isomers | US10174016, Example 204 | US10202369, Example 204 | US10472354, Example 204 |
Type | Small organic molecule |
Emp. Form. | C23H23F4N5O2S |
Mol. Mass. | 509.52 |
SMILES | C[C@@H](NC(=O)c1cc(OC2CCNCC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| |
Structure |
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