Ki Summary

Reaction Details

Report a problem with these data

Target

Cystic fibrosis transmembrane conductance regulator

Ligand

BDBM200294

Substrate/Competitor

n/a

EC50

>50000±n/a nM

Citation

PubChem, PC Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in HeLa Cells PubChem Bioassay(2016)[AID]

More Info.:

Get all data from this article

Cystic fibrosis transmembrane conductance regulator

Name:

Cystic fibrosis transmembrane conductance regulator

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

168171.30

Organism:

Homo sapiens (Human)

Description:

gi_90421313

Residue:

1480

Sequence:

MQRSPLEKASVVSKLFFSWTRPILRKGYRQRLELSDIYQIPSVDSADNLSEKLEREWDRE
LASKKNPKLINALRRCFFWRFMFYGIFLYLGEVTKAVQPLLLGRIIASYDPDNKEERSIA
IYLGIGLCLLFIVRTLLLHPAIFGLHHIGMQMRIAMFSLIYKKTLKLSSRVLDKISIGQL
VSLLSNNLNKFDEGLALAHFVWIAPLQVALLMGLIWELLQASAFCGLGFLIVLALFQAGL
GRMMMKYRDQRAGKISERLVITSEMIENIQSVKAYCWEEAMEKMIENLRQTELKLTRKAA
YVRYFNSSAFFFSGFFVVFLSVLPYALIKGIILRKIFTTISFCIVLRMAVTRQFPWAVQT
WYDSLGAINKIQDFLQKQEYKTLEYNLTTTEVVMENVTAFWEEGFGELFEKAKQNNNNRK
TSNGDDSLFFSNFSLLGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMVIMGELEPSEG
KIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIV
LGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTR
ILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMGCDSFDQFSAERRNS
ILTETLHRFSLEGDAPVSWTETKKQSFKQTGEFGEKRKNSILNPINSIRKFSIVQKTPLQ
MNGIEEDSDEPLERRLSLVPDSEQGEAILPRISVISTGPTLQARRRQSVLNLMTHSVNQG
QNIHRKTTASTRKVSLAPQANLTELDIYSRRLSQETGLEISEEINEEDLKECFFDDMESI
PAVTTWNTYLRYITVHKSLIFVLIWCLVIFLAEVAASLVVLWLLGNTPLQDKGNSTHSRN
NSYAVIITSTSSYYVFYIYVGVADTLLAMGFFRGLPLVHTLITVSKILHHKMLHSVLQAP
MSTLNTLKAGGILNRFSKDIAILDDLLPLTIFDFIQLLLIVIGAIAVVAVLQPYIFVATV
PVIVAFIMLRAYFLQTSQQLKQLESEGRSPIFTHLVTSLKGLWTLRAFGRQPYFETLFHK
ALNLHTANWFLYLSTLRWFQMRIEMIFVIFFIAVTFISILTTGEGEGRVGIILTLAMNIM
STLQWAVNSSIDVDSLMRSVSRVFKFIDMPTEGKPTKSTKPYKNGQLSKVMIIENSHVKK
DDIWPSGGQMTVKDLTAKYTEGGNAILENISFSISPGQRVGLLGRTGSGKSTLLSAFLRL
LNTEGEIQIDGVSWDSITLQQWRKAFGVIPQKVFIFSGTFRKNLDPYEQWSDQEIWKVAD
EVGLRSVIEQFPGKLDFVLVDGGCVLSHGHKQLMCLARSVLSKAKILLLDEPSAHLDPVT
YQIIRRTLKQAFADCTVILCEHRIEAMLECQQFLVIEENKVRQYDSIQKLLNERSLFRQA
ISPSDRVKLFPHRNSSKCKSKPQIAALKEETEEEVQDTRL

BDBM200294

n/a

Name

BDBM200294

Synonyms:

AB00052086_02 | cid_5702112

Type

Small organic molecule

Emp. Form.

C43H58N4O12

Mol. Mass.

822.9402

SMILES

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |wU:41.43,37.39,43.45,6.6,wD:45.47,2.1,39.41,50.53,c:33,t:3,35,54,(15.2,-5.61,;13.75,-5.11,;13.45,-3.6,;14.83,-2.92,;16.11,-3.78,;17.49,-3.1,;17.6,-1.56,;19.09,-1.94,;18.22,-.17,;17.09,.86,;15.75,.09,;16.08,-1.41,;16.55,-2.87,;14.42,.86,;13.04,.04,;14.39,-.72,;11.65,.83,;10.32,.05,;9.54,1.38,;9.54,2.92,;10.87,3.7,;10.86,5.24,;9.52,6,;9.52,7.54,;8.19,5.23,;8.2,3.69,;11.65,2.43,;10.26,1.76,;9.24,.62,;8.4,-.67,;7.96,1.48,;7.53,2.96,;6.58,.8,;6.47,-.73,;5.09,-1.41,;4.59,-2.87,;3.08,-3.16,;5.6,-4.03,;4.59,-5.18,;7.14,-4.13,;6.9,-5.65,;8,-2.85,;6.57,-2.29,;9.51,-2.56,;9.41,-1.02,;10.79,-3.42,;11.09,-4.93,;10.59,-6.38,;11.6,-7.54,;9.08,-6.68,;12.17,-2.74,;13.68,-2.44,;13.04,3.22,;13.06,4.76,;14.42,2.4,;15.75,3.17,;15.75,4.71,;17.09,2.4,;18.42,3.17,)|

Structure