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Target
Cystic fibrosis transmembrane conductance regulator
Ligand
BDBM221985
Substrate
n/a
Meas. Tech.
IonWorks Quattro Assay
IC50
0.61±n/a nM
Citation
 Ahmed, M; Ashall-Kelly, A; Bloomfield, GC; Gueritz, L; McKenna, J; McKenna, J; Mutton, S; Parmar, R; Sheperd, J; Wright, P Substituted pyrazino[1′,2′:1,2]pyrrolo[3,4-d]pyrimidines, pyrimido[4′,5′:3,4]pyrrolo[2,1-c][1,4]oxazines and pyrimido[4′,5′:3,4]pyrrolo[1,2-d][1,4]oxazepines for inhibiting the CFTR channel US Patent  US9303035 Publication Date 4/5/2016 
Target
Name:
Cystic fibrosis transmembrane conductance regulator
Synonyms:
cystic fibrosis transmembrane conductance regulator protein (CFTR)
Type:
Protein
Mol. Mass.:
125499.86
Organism:
Cricetulus griseus (Chinese hamster)
Description:
G3H9J3
Residue:
1107
Sequence:
WTTPILKKGYRQHLELSDVYQAPSSDSADHLSEQLEREWDREQASKKNPKLIHALRRCFFWRFIFYGILLYLGEVTKAVQPLLLGRIIASYDPDNKVERSIAIYLGIGLCLLFIVRTLLLHPAIFGLHRIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQLVSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLLWELLQFSAFCGLGLLIILVFFQAILGKMMVKYRVELKLTKKAAYTRFLTSSAFFFSGFFVVLLAVLPYTVLNGIILRKIFTTISFCIVLRMAVTRQLPTAVQTWYDSIGMITKVQDFLQYQEYKILEYNLMTTDVTMENVSAFWEEGFGELLEKVQLNNDDRKLSNDDDNPSLGHICFLENPVLKNISFKVEKGEMLAITGSTGAGKDISKFAEKDNTILGEGGVTLSGGQRARISLARAVYKDADVYLLDSPFGYLDVLTEEQIFENCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQSLRPDFSSKLMGYDTFDQFTEERRSSILTETLRRFSVDDSSVTWSKTKQAFKQTGEYGEKRKSSVLSSMKKFSIGQKIPFVIEDSDEFQDRRLSVVPESEQGETALPRSNMIPTGPAFSGGRRRQSVLDLMTHTPTQGFSNIQRTRTSIRKISLAPQINLKDVDIYARRLSEDNAFNITEEVNEEDLKLLFIVIGAIIVVSVLQPYIFLATVPGLVVFILLRAYFLHTSQQLKQLESEGEGEGSTGIILTLAMNIMSTLQWAVNTSIDVDSLMRSVSRVFKFIDLPQEESECSKIMKGLHPEEPSQVLVIENEHVKKTDTWPSRGEMVVKDLTVTYENDTNAMLENISFSISPGQRVGLLGRTGSGKSTLLSAFLRLLNIQGDIQIDGVSWNSVTLKEWRKAFGVITQKVFIFSGTFRQNLDPHGKWRDEEIWKVADEVGLKSVIEQFPGQLNFTLVDGGYVLSHGHKQLMGLARSVLSKARILLLDEPSAHLDPITYQIIRKVLKHTFSGCTVILCEHRIEAILDCQRFLVIEEGTVWQYNSLQALLSEKSVFQQAISPSEKMKLFQGRHSTKQKPRSQITALKEETEEEVQETRL
  
Inhibitor
Name:
BDBM221985
Synonyms:
US9303035, 7.1a
Type:
Small organic molecule
Emp. Form.:
C20H19ClN4O6S
Mol. Mass.:
478.906
SMILES:
Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3nc(CO)cs3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Structure:
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