| Reaction Details |
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 | Report a problem with these data |
| Target | Cystic fibrosis transmembrane conductance regulator [1-507,509-1480] |
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| Ligand | BDBM526466 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Assays for Detecting and Measuring F508del-CFTR Modulator Properties of Compounds |
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| EC50 | <100±n/a nM |
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| Citation |  Alcacio, T; Baek, M; Grootenhuis, P; Hadida Ruah, SS; Hughes, RM; Keshavarz-Shokri, A; McAuley-Aoki, R; McCartney, J; Miller, MT; Van Goor, F; Zhang, B; Anderson, C; Cleveland, T; Frieman, BA; Khatuya, H; Joshi, PV; Krenitsky, PJ; Melillo, V; Pierre, FJ; Termin, AP; Uy, J; Zhou, J; Abela, AR; Busch, BB; Paraselli, P Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator US Patent US11186566 Publication Date 11/30/2021 |
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| More Info.: | Get all data from this article, Assay Method |
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| Cystic fibrosis transmembrane conductance regulator [1-507,509-1480] |
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| Name: | Cystic fibrosis transmembrane conductance regulator [1-507,509-1480] |
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| Synonyms: | ABCC7 | CFTR | CFTR F508del | CFTR del508F | CFTR_HUMAN | Cystic fibrosis transmembrane conductance regulator (aa 1-507, aa 509-1480) |
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| Type: | Protein |
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| Mol. Mass.: | 168024.13 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human CTFR variant with F508 deletion. |
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| Residue: | 1479 |
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| Sequence: | MQRSPLEKASVVSKLFFSWTRPILRKGYRQRLELSDIYQIPSVDSADNLSEKLEREWDRE
LASKKNPKLINALRRCFFWRFMFYGIFLYLGEVTKAVQPLLLGRIIASYDPDNKEERSIA
IYLGIGLCLLFIVRTLLLHPAIFGLHHIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQL
VSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLIWELLQASAFCGLGFLIVLALFQAGL
GRMMMKYRDQRAGKISERLVITSEMIENIQSVKAYCWEEAMEKMIENLRQTELKLTRKAA
YVRYFNSSAFFFSGFFVVFLSVLPYALIKGIILRKIFTTISFCIVLRMAVTRQFPWAVQT
WYDSLGAINKIQDFLQKQEYKTLEYNLTTTEVVMENVTAFWEEGFGELFEKAKQNNNNRK
TSNGDDSLFFSNFSLLGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMVIMGELEPSEG
KIKHSGRISFCSQFSWIMPGTIKENIIGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVL
GEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRI
LVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMGCDSFDQFSAERRNSI
LTETLHRFSLEGDAPVSWTETKKQSFKQTGEFGEKRKNSILNPINSIRKFSIVQKTPLQM
NGIEEDSDEPLERRLSLVPDSEQGEAILPRISVISTGPTLQARRRQSVLNLMTHSVNQGQ
NIHRKTTASTRKVSLAPQANLTELDIYSRRLSQETGLEISEEINEEDLKECFFDDMESIP
AVTTWNTYLRYITVHKSLIFVLIWCLVIFLAEVAASLVVLWLLGNTPLQDKGNSTHSRNN
SYAVIITSTSSYYVFYIYVGVADTLLAMGFFRGLPLVHTLITVSKILHHKMLHSVLQAPM
STLNTLKAGGILNRFSKDIAILDDLLPLTIFDFIQLLLIVIGAIAVVAVLQPYIFVATVP
VIVAFIMLRAYFLQTSQQLKQLESEGRSPIFTHLVTSLKGLWTLRAFGRQPYFETLFHKA
LNLHTANWFLYLSTLRWFQMRIEMIFVIFFIAVTFISILTTGEGEGRVGIILTLAMNIMS
TLQWAVNSSIDVDSLMRSVSRVFKFIDMPTEGKPTKSTKPYKNGQLSKVMIIENSHVKKD
DIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKSTLLSAFLRLL
NTEGEIQIDGVSWDSITLQQWRKAFGVIPQKVFIFSGTFRKNLDPYEQWSDQEIWKVADE
VGLRSVIEQFPGKLDFVLVDGGCVLSHGHKQLMCLARSVLSKAKILLLDEPSAHLDPVTY
QIIRRTLKQAFADCTVILCEHRIEAMLECQQFLVIEENKVRQYDSIQKLLNERSLFRQAI
SPSDRVKLFPHRNSSKCKSKPQIAALKEETEEEVQDTRL
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| BDBM526466 |
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| n/a |
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| Name | BDBM526466 |
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| Synonyms: | (S)—N-((4-Hydroxy-3-methoxyphenyl)sulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide | US11186566, Compound 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H20ClF3N4O6S |
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| Mol. Mass. | 560.931 |
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| SMILES | COc1cc(ccc1O)S(=O)(=O)NC(=O)c1ccc(nc1Cl)-n1ccc(OCCC2(CC2)C(F)(F)F)n1 |
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| Structure | 
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