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_2086891 (CHEMBL4768154) |
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EC50 | 12±n/a nM |
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Citation | Froux, L; Elbahnsi, A; Boucherle, B; Billet, A; Baatallah, N; Hoffmann, B; Alliot, J; Zelli, R; Zeinyeh, W; Haudecoeur, R; Chevalier, B; Fortuné, A; Mirval, S; Simard, C; Lehn, P; Mornon, JP; Hinzpeter, A; Becq, F; Callebaut, I; Décout, JL Targeting different binding sites in the CFTR structures allows to synergistically potentiate channel activity. Eur J Med Chem190:0 (2020) [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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