| Reaction Details |
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 | Report a problem with these data |
| Target | Cystic fibrosis transmembrane conductance regulator |
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| Ligand | BDBM644710 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Bioactivity Assay |
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| EC50 | <1000±n/a nM |
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| Citation |  Clemens, JJ; Abela, AR; Anderson, CD; Busch, BB; Chen, WG; Cleveland, T; Coon, TR; Frieman, B; Ghirmai, SG; Grootenhuis, P; Gulevich, AV; Hadida Ruah, SS; Hsia, CK; Kang, P; Khatuya, H; McCartney, J; Miller, MT; Paraselli, P; Pierre, F; Swift, SE; Termin, A; Uy, J; Vogel, CV; Zhou, J Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators US Patent US11866450 Publication Date 1/9/2024 |
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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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| BDBM644710 |
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| n/a |
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| Name | BDBM644710 |
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| Synonyms: | Preparation of 12,12-dimethyl-8-(3-{2-[1-(trifluoromethyl)cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-2λ6-thia-3,9,11,19,22-pentaazatetracyclo[18.2.2.111,14.05,10]pentacosa-1(22),5(10),6,8,20,23-hexaene-2,2,4-trione | US11866450, Compound 123 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H36F3N7O4S |
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| Mol. Mass. | 647.712 |
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| SMILES | CC1(C)CC2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1ccc(NCCCC2)cn1)-n1ccc(OCCC2(CC2)C(F)(F)F)n1 |
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| Structure | 
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