Reaction Details |
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Target | Cystic fibrosis transmembrane conductance regulator |
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Ligand | BDBM50032693 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2152466 (CHEMBL5037013) |
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EC50 | 70±n/a nM |
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Citation | Grand, DL; Gosling, M; Baettig, U; Bahra, P; Bala, K; Brocklehurst, C; Budd, E; Butler, R; Cheung, AK; Choudhury, H; Collingwood, SP; Cox, B; Danahay, H; Edwards, L; Everatt, B; Glaenzel, U; Glotin, AL; Groot-Kormelink, P; Hall, E; Hatto, J; Howsham, C; Hughes, G; King, A; Koehler, J; Kulkarni, S; Lightfoot, M; Nicholls, I; Page, C; Pergl-Wilson, G; Popa, MO; Robinson, R; Rowlands, D; Sharp, T; Spendiff, M; Stanley, E; Steward, O; Taylor, RJ; Tranter, P; Wagner, T; Watson, H; Williams, G; Wright, P; Young, A; Sandham, DA Discovery of Icenticaftor (QBW251), a Cystic Fibrosis Transmembrane Conductance Regulator Potentiator with Clinical Efficacy in Cystic Fibrosis and Chronic Obstructive Pulmonary Disease. J Med Chem64:7241-7260 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cystic fibrosis transmembrane conductance regulator |
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Name: | Cystic fibrosis transmembrane conductance regulator |
Synonyms: | ABCC7 | ATP-binding cassette sub-family C member 7 | CFTR | CFTR_HUMAN | Channel conductance-controlling ATPase | cAMP-dependent chloride channel |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 168171.30 |
Organism: | Homo sapiens (Human) |
Description: | gi_90421313 |
Residue: | 1480 |
Sequence: | MQRSPLEKASVVSKLFFSWTRPILRKGYRQRLELSDIYQIPSVDSADNLSEKLEREWDRE
LASKKNPKLINALRRCFFWRFMFYGIFLYLGEVTKAVQPLLLGRIIASYDPDNKEERSIA
IYLGIGLCLLFIVRTLLLHPAIFGLHHIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQL
VSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLIWELLQASAFCGLGFLIVLALFQAGL
GRMMMKYRDQRAGKISERLVITSEMIENIQSVKAYCWEEAMEKMIENLRQTELKLTRKAA
YVRYFNSSAFFFSGFFVVFLSVLPYALIKGIILRKIFTTISFCIVLRMAVTRQFPWAVQT
WYDSLGAINKIQDFLQKQEYKTLEYNLTTTEVVMENVTAFWEEGFGELFEKAKQNNNNRK
TSNGDDSLFFSNFSLLGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMVIMGELEPSEG
KIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIV
LGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTR
ILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMGCDSFDQFSAERRNS
ILTETLHRFSLEGDAPVSWTETKKQSFKQTGEFGEKRKNSILNPINSIRKFSIVQKTPLQ
MNGIEEDSDEPLERRLSLVPDSEQGEAILPRISVISTGPTLQARRRQSVLNLMTHSVNQG
QNIHRKTTASTRKVSLAPQANLTELDIYSRRLSQETGLEISEEINEEDLKECFFDDMESI
PAVTTWNTYLRYITVHKSLIFVLIWCLVIFLAEVAASLVVLWLLGNTPLQDKGNSTHSRN
NSYAVIITSTSSYYVFYIYVGVADTLLAMGFFRGLPLVHTLITVSKILHHKMLHSVLQAP
MSTLNTLKAGGILNRFSKDIAILDDLLPLTIFDFIQLLLIVIGAIAVVAVLQPYIFVATV
PVIVAFIMLRAYFLQTSQQLKQLESEGRSPIFTHLVTSLKGLWTLRAFGRQPYFETLFHK
ALNLHTANWFLYLSTLRWFQMRIEMIFVIFFIAVTFISILTTGEGEGRVGIILTLAMNIM
STLQWAVNSSIDVDSLMRSVSRVFKFIDMPTEGKPTKSTKPYKNGQLSKVMIIENSHVKK
DDIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKSTLLSAFLRL
LNTEGEIQIDGVSWDSITLQQWRKAFGVIPQKVFIFSGTFRKNLDPYEQWSDQEIWKVAD
EVGLRSVIEQFPGKLDFVLVDGGCVLSHGHKQLMCLARSVLSKAKILLLDEPSAHLDPVT
YQIIRRTLKQAFADCTVILCEHRIEAMLECQQFLVIEENKVRQYDSIQKLLNERSLFRQA
ISPSDRVKLFPHRNSSKCKSKPQIAALKEETEEEVQDTRL
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BDBM50032693 |
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n/a |
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Name | BDBM50032693 |
Synonyms: | CHEBI:66901 | Ivacaftor | Kalydeco | VX-770 |
Type | Small organic molecule |
Emp. Form. | C24H28N2O3 |
Mol. Mass. | 392.4907 |
SMILES | CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C |
Structure |
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