Reaction Details
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Cystic fibrosis transmembrane conductance regulator [G550E]
Ligand
BDBM300426
Substrate
n/a
Meas. Tech.
YFP-Halide Influx Assay
IC50
102±n/a nM
Citation
Akkari, R; Alvey, LJ; Bock, XM; Brown, BS; Claes, PI; Cowart, MD; Conrath, KE; Cyr, D; De Lemos, E; De Wilde, GJ; Desroy, N; Duthion, B; Gfesser, GA; Gosmini, RL; Housseman, CG; Jansen, KK; Ji, J; Kym, PR; Lefrancois, J; Mammoliti, O; Menet, CJ; Merayo, NM; Newsome, GJ; Palisse, AM; Patel, SV; Pizzonero, MR; Shrestha, A; Swift, EC; Tse, C; Van der Plas, SE; Wang, X Compounds for treatment of cystic fibrosis US Patent US10130622 Publication Date 11/20/2018 More Info.:
Target
Name:
Cystic fibrosis transmembrane conductance regulator [G550E]
Synonyms:
ABCC7 | CFTR | CFTR_HUMAN | Cystic fibrosis transmembrane conductance regulator mutant G550E
Type:
Enzyme Catalytic Domain
Mol. Mass.:
168242.36
Organism:
Homo sapiens (Human)
Description:
P13569[G550E]
Residue:
1480
Sequence:
MQRSPLEKASVVSKLFFSWTRPILRKGYRQRLELSDIYQIPSVDSADNLSEKLEREWDRELASKKNPKLINALRRCFFWRFMFYGIFLYLGEVTKAVQPLLLGRIIASYDPDNKEERSIAIYLGIGLCLLFIVRTLLLHPAIFGLHHIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQLVSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLIWELLQASAFCGLGFLIVLALFQAGLGRMMMKYRDQRAGKISERLVITSEMIENIQSVKAYCWEEAMEKMIENLRQTELKLTRKAAYVRYFNSSAFFFSGFFVVFLSVLPYALIKGIILRKIFTTISFCIVLRMAVTRQFPWAVQTWYDSLGAINKIQDFLQKQEYKTLEYNLTTTEVVMENVTAFWEEGFGELFEKAKQNNNNRKTSNGDDSLFFSNFSLLGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMVIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSEGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMGCDSFDQFSAERRNSILTETLHRFSLEGDAPVSWTETKKQSFKQTGEFGEKRKNSILNPINSIRKFSIVQKTPLQMNGIEEDSDEPLERRLSLVPDSEQGEAILPRISVISTGPTLQARRRQSVLNLMTHSVNQGQNIHRKTTASTRKVSLAPQANLTELDIYSRRLSQETGLEISEEINEEDLKECFFDDMESIPAVTTWNTYLRYITVHKSLIFVLIWCLVIFLAEVAASLVVLWLLGNTPLQDKGNSTHSRNNSYAVIITSTSSYYVFYIYVGVADTLLAMGFFRGLPLVHTLITVSKILHHKMLHSVLQAPMSTLNTLKAGGILNRFSKDIAILDDLLPLTIFDFIQLLLIVIGAIAVVAVLQPYIFVATVPVIVAFIMLRAYFLQTSQQLKQLESEGRSPIFTHLVTSLKGLWTLRAFGRQPYFETLFHKALNLHTANWFLYLSTLRWFQMRIEMIFVIFFIAVTFISILTTGEGEGRVGIILTLAMNIMSTLQWAVNSSIDVDSLMRSVSRVFKFIDMPTEGKPTKSTKPYKNGQLSKVMIIENSHVKKDDIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKSTLLSAFLRLLNTEGEIQIDGVSWDSITLQQWRKAFGVIPQKVFIFSGTFRKNLDPYEQWSDQEIWKVADEVGLRSVIEQFPGKLDFVLVDGGCVLSHGHKQLMCLARSVLSKAKILLLDEPSAHLDPVTYQIIRRTLKQAFADCTVILCEHRIEAMLECQQFLVIEENKVRQYDSIQKLLNERSLFRQAISPSDRVKLFPHRNSSKCKSKPQIAALKEETEEEVQDTRL
Inhibitor
Name:
BDBM300426
Synonyms:
US10130622, Example 00005
Type:
Small organic molecule
Emp. Form.:
C26H34FN5O5S
Mol. Mass.:
547.642
SMILES:
COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C
Structure:
