Target
Cystic fibrosis transmembrane conductance regulator
Ligand
BDBM221941
Substrate
n/a
Meas. Tech.
IonWorks Quattro Assay
IC50
6.31±n/a nM
Citation
 Ahmed, MAshall-Kelly, ABloomfield, GCGueritz, LMcKenna, JMcKenna, JMutton, SParmar, RSheperd, JWright, 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:
BDBM221941
Synonyms:
US9303035, 1.9 | US9303035, 2.4
Type:
Small organic molecule
Emp. Form.:
C21H18F3N5O2S
Mol. Mass.:
461.46
SMILES:
Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(cs1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: