Reaction Details Report a problem with these data
Target
Cystic fibrosis transmembrane conductance regulator
Ligand
BDBM100205
Substrate
n/a
Meas. Tech.
ChEMBL_477388 (CHEMBL928176)
Kd
700±n/a nM
Citation
 Yoo, CL; Yu, GJ; Yang, B; Robins, LI; Verkman, AS; Kurth, MJ 4'-Methyl-4,5'-bithiazole-based correctors of defective delta F508-CFTR cellular processing. Bioorg Med Chem Lett 18:2610-4 (2008) [PubMed]  Article 
Target
Name:
Cystic fibrosis transmembrane conductance regulator
Synonyms:
ABCC7 | ATP-binding cassette sub-family C member 7 | CFTR | CFTR_HUMAN | Channel conductance-controlling ATPase | cAMP-dependent chloride channel
Type:
Enzyme Catalytic Domain
Mol. Mass.:
168171.30
Organism:
Homo sapiens (Human)
Description:
gi_90421313
Residue:
1480
Sequence:
MQRSPLEKASVVSKLFFSWTRPILRKGYRQRLELSDIYQIPSVDSADNLSEKLEREWDRELASKKNPKLINALRRCFFWRFMFYGIFLYLGEVTKAVQPLLLGRIIASYDPDNKEERSIAIYLGIGLCLLFIVRTLLLHPAIFGLHHIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQLVSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLIWELLQASAFCGLGFLIVLALFQAGLGRMMMKYRDQRAGKISERLVITSEMIENIQSVKAYCWEEAMEKMIENLRQTELKLTRKAAYVRYFNSSAFFFSGFFVVFLSVLPYALIKGIILRKIFTTISFCIVLRMAVTRQFPWAVQTWYDSLGAINKIQDFLQKQEYKTLEYNLTTTEVVMENVTAFWEEGFGELFEKAKQNNNNRKTSNGDDSLFFSNFSLLGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMVIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMGCDSFDQFSAERRNSILTETLHRFSLEGDAPVSWTETKKQSFKQTGEFGEKRKNSILNPINSIRKFSIVQKTPLQMNGIEEDSDEPLERRLSLVPDSEQGEAILPRISVISTGPTLQARRRQSVLNLMTHSVNQGQNIHRKTTASTRKVSLAPQANLTELDIYSRRLSQETGLEISEEINEEDLKECFFDDMESIPAVTTWNTYLRYITVHKSLIFVLIWCLVIFLAEVAASLVVLWLLGNTPLQDKGNSTHSRNNSYAVIITSTSSYYVFYIYVGVADTLLAMGFFRGLPLVHTLITVSKILHHKMLHSVLQAPMSTLNTLKAGGILNRFSKDIAILDDLLPLTIFDFIQLLLIVIGAIAVVAVLQPYIFVATVPVIVAFIMLRAYFLQTSQQLKQLESEGRSPIFTHLVTSLKGLWTLRAFGRQPYFETLFHKALNLHTANWFLYLSTLRWFQMRIEMIFVIFFIAVTFISILTTGEGEGRVGIILTLAMNIMSTLQWAVNSSIDVDSLMRSVSRVFKFIDMPTEGKPTKSTKPYKNGQLSKVMIIENSHVKKDDIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKSTLLSAFLRLLNTEGEIQIDGVSWDSITLQQWRKAFGVIPQKVFIFSGTFRKNLDPYEQWSDQEIWKVADEVGLRSVIEQFPGKLDFVLVDGGCVLSHGHKQLMCLARSVLSKAKILLLDEPSAHLDPVTYQIIRRTLKQAFADCTVILCEHRIEAMLECQQFLVIEENKVRQYDSIQKLLNERSLFRQAISPSDRVKLFPHRNSSKCKSKPQIAALKEETEEEVQDTRL
  
Inhibitor
Name:
BDBM100205
Synonyms:
MLS000561583 | N-[5-[2-(5-chloro-2-methoxy-anilino)thiazol-4-yl]-4-methyl-thiazol-2-yl]-2,2-dimethyl-propionamide | N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide | N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2,2-dimethylpropanamide | N-[5-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethyl-propanamide | SMR000156108 | cid_11958611
Type:
Small organic molecule
Emp. Form.:
C19H21ClN4O2S2
Mol. Mass.:
436.979
SMILES:
COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C
Structure:
Search PDB for entries with ligand similarity: