Target
Cystic fibrosis transmembrane conductance regulator
Ligand
BDBM221991
Substrate
n/a
Meas. Tech.
IonWorks Quattro Assay
IC50
5.07±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:
BDBM221991
Synonyms:
US9303035, 12.1
Type:
Small organic molecule
Emp. Form.:
C23H22ClN3O4
Mol. Mass.:
439.891
SMILES:
CC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(C)c1
Structure:
Search PDB for entries with ligand similarity: