| Reaction Details |
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 | Report a problem with these data |
| Target | Cystic fibrosis transmembrane conductance regulator |
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| Ligand | BDBM50504991 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1816965 (CHEMBL4316539) |
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| EC50 | 2520±n/a nM |
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| Citation |  Scanio, MJC; Searle, XB; Liu, B; Koenig, JR; Altenbach, R; Gfesser, GA; Bogdan, A; Greszler, S; Zhao, G; Singh, A; Fan, Y; Swensen, AM; Vortherms, T; Manelli, A; Balut, C; Jia, Y; Gao, W; Yong, H; Schrimpf, M; Tse, C; Kym, P; Wang, X Discovery of ABBV/GLPG-3221, a Potent Corrector of CFTR for the Treatment of Cystic Fibrosis. ACS Med Chem Lett10:1543-1548 (2019) [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 |
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| Synonyms: | ABCC7 | ATP-binding cassette sub-family C member 7 | CFTR | CFTR_HUMAN | Channel conductance-controlling ATPase | cAMP-dependent chloride channel |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 168171.30 |
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| Organism: | Homo sapiens (Human) |
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| Description: | gi_90421313 |
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| Residue: | 1480 |
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| 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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| BDBM50504991 |
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| n/a |
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| Name | BDBM50504991 |
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| Synonyms: | CHEMBL4438246 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H33Cl2NO4 |
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| Mol. Mass. | 530.483 |
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| SMILES | CC(C)(C)[C@H]1[C@@H]([C@@H](N([C@@H]1C(O)=O)C(=O)C1CCCCC1)c1ccccc1)C(=O)c1cc(Cl)ccc1Cl |r| |
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| Structure | 
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