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Target
Cystic fibrosis transmembrane conductance regulator [1-507,509-1480]
Ligand
BDBM526472
Substrate
n/a
Meas. Tech.
Assays for Detecting and Measuring F508del-CFTR Modulator Properties of Compounds
EC50
550±n/a nM
Citation
 Alcacio, T; Baek, M; Grootenhuis, P; Hadida Ruah, SS; Hughes, RM; Keshavarz-Shokri, A; McAuley-Aoki, R; McCartney, J; Miller, MT; Van Goor, F; Zhang, B; Anderson, C; Cleveland, T; Frieman, BA; Khatuya, H; Joshi, PV; Krenitsky, PJ; Melillo, V; Pierre, FJ; Termin, AP; Uy, J; Zhou, J; Abela, AR; Busch, BB; Paraselli, P Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator US Patent  US11186566 Publication Date 11/30/2021 
Target
Name:
Cystic fibrosis transmembrane conductance regulator [1-507,509-1480]
Synonyms:
ABCC7 | CFTR | CFTR F508del | CFTR del508F | CFTR_HUMAN | Cystic fibrosis transmembrane conductance regulator (aa 1-507, aa 509-1480)
Type:
Protein
Mol. Mass.:
168024.13
Organism:
Homo sapiens (Human)
Description:
Human CTFR variant with F508 deletion.
Residue:
1479
Sequence:
MQRSPLEKASVVSKLFFSWTRPILRKGYRQRLELSDIYQIPSVDSADNLSEKLEREWDRELASKKNPKLINALRRCFFWRFMFYGIFLYLGEVTKAVQPLLLGRIIASYDPDNKEERSIAIYLGIGLCLLFIVRTLLLHPAIFGLHHIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQLVSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLIWELLQASAFCGLGFLIVLALFQAGLGRMMMKYRDQRAGKISERLVITSEMIENIQSVKAYCWEEAMEKMIENLRQTELKLTRKAAYVRYFNSSAFFFSGFFVVFLSVLPYALIKGIILRKIFTTISFCIVLRMAVTRQFPWAVQTWYDSLGAINKIQDFLQKQEYKTLEYNLTTTEVVMENVTAFWEEGFGELFEKAKQNNNNRKTSNGDDSLFFSNFSLLGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMVIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMGCDSFDQFSAERRNSILTETLHRFSLEGDAPVSWTETKKQSFKQTGEFGEKRKNSILNPINSIRKFSIVQKTPLQMNGIEEDSDEPLERRLSLVPDSEQGEAILPRISVISTGPTLQARRRQSVLNLMTHSVNQGQNIHRKTTASTRKVSLAPQANLTELDIYSRRLSQETGLEISEEINEEDLKECFFDDMESIPAVTTWNTYLRYITVHKSLIFVLIWCLVIFLAEVAASLVVLWLLGNTPLQDKGNSTHSRNNSYAVIITSTSSYYVFYIYVGVADTLLAMGFFRGLPLVHTLITVSKILHHKMLHSVLQAPMSTLNTLKAGGILNRFSKDIAILDDLLPLTIFDFIQLLLIVIGAIAVVAVLQPYIFVATVPVIVAFIMLRAYFLQTSQQLKQLESEGRSPIFTHLVTSLKGLWTLRAFGRQPYFETLFHKALNLHTANWFLYLSTLRWFQMRIEMIFVIFFIAVTFISILTTGEGEGRVGIILTLAMNIMSTLQWAVNSSIDVDSLMRSVSRVFKFIDMPTEGKPTKSTKPYKNGQLSKVMIIENSHVKKDDIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKSTLLSAFLRLLNTEGEIQIDGVSWDSITLQQWRKAFGVIPQKVFIFSGTFRKNLDPYEQWSDQEIWKVADEVGLRSVIEQFPGKLDFVLVDGGCVLSHGHKQLMCLARSVLSKAKILLLDEPSAHLDPVTYQIIRRTLKQAFADCTVILCEHRIEAMLECQQFLVIEENKVRQYDSIQKLLNERSLFRQAISPSDRVKLFPHRNSSKCKSKPQIAALKEETEEEVQDTRL
  
Inhibitor
Name:
BDBM526472
Synonyms:
US11186566, Compound 11
Type:
Small organic molecule
Emp. Form.:
C29H31F3N6O4S
Mol. Mass.:
616.654
SMILES:
C[C@@H]1CN(c2nc(ccc2C(=O)NS(=O)(=O)c2ccc(cc2C)C#N)-n2ccc(OCC3(CC3)C(F)(F)F)n2)C(C)(C)C1 |r|
Structure:
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