| Reaction Details |
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 | Report a problem with these data |
| Target | Potassium voltage-gated channel subfamily E/KQT member 1 |
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| Ligand | BDBM50031720 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1478581 (CHEMBL3430482) |
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| IC50 | 251189±n/a nM |
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| Citation |  Mirams, GR; Davies, MR; Brough, SJ; Bridgland-Taylor, MH; Cui, Y; Gavaghan, DJ; Abi-Gerges, N Prediction of Thorough QT study results using action potential simulations based on ion channel screens. J Pharmacol Toxicol Methods70:246-54 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Potassium voltage-gated channel subfamily E/KQT member 1 |
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| Name: | Potassium voltage-gated channel subfamily E/KQT member 1 |
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| Synonyms: | Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 158552 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Potassium voltage-gated channel subfamily E member 1 |
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| Synonyms: | Delayed rectifier potassium channel subunit IsK | IKs producing slow voltage-gated potassium channel subunit beta Mink | KCNE1 | KCNE1_HUMAN | KCNQ1(Kv7.1)/KCNE1(MinK) | Minimal potassium channel | Voltage-gated potassium channel beta subunit Mink | Voltage-gated potassium channel, IKs |
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| Type: | PROTEIN |
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| Mol. Mass.: | 14676.11 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1456351 |
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| Residue: | 129 |
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| Sequence: | MILSNTTAVTPFLTKLWQETVQQGGNMSGLARRSPRSSDGKLEALYVLMVLGFFGFFTLG
IMLSYIRSKKLEHSNDPFNVYIESDAWQEKDKAYVQARVLESYRSCYVVENHLAIEQPNT
HLPETKPSP
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| Component 2 |
| Name: | Potassium voltage-gated channel subfamily KQT member 1 |
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| Synonyms: | KCNA8 | KCNA9 | KCNQ (Kv7) potassium channel | KCNQ1 | KCNQ1_HUMAN | KVLQT1 | Voltage-gated potassium channel subunit Kv7.1 | Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 74739.00 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1454245 |
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| Residue: | 676 |
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| Sequence: | MAAASSPPRAERKRWGWGRLPGARRGSAGLAKKCPFSLELAEGGPAGGALYAPIAPGAPG
PAPPASPAAPAAPPVASDLGPRPPVSLDPRVSIYSTRRPVLARTHVQGRVYNFLERPTGW
KCFVYHFAVFLIVLVCLIFSVLSTIEQYAALATGTLFWMEIVLVVFFGTEYVVRLWSAGC
RSKYVGLWGRLRFARKPISIIDLIVVVASMVVLCVGSKGQVFATSAIRGIRFLQILRMLH
VDRQGGTWRLLGSVVFIHRQELITTLYIGFLGLIFSSYFVYLAEKDAVNESGRVEFGSYA
DALWWGVVTVTTIGYGDKVPQTWVGKTIASCFSVFAISFFALPAGILGSGFALKVQQKQR
QKHFNRQIPAAASLIQTAWRCYAAENPDSSTWKIYIRKAPRSHTLLSPSPKPKKSVVVKK
KKFKLDKDNGVTPGEKMLTVPHITCDPPEERRLDHFSVDGYDSSVRKSPTLLEVSMPHFM
RTNSFAEDLDLEGETLLTPITHISQLREHHRATIKVIRRMQYFVAKKKFQQARKPYDVRD
VIEQYSQGHLNLMVRIKELQRRLDQSIGKPSLFISVSEKSKDRGSNTIGARLNRVEDKVT
QLDQRLALITDMLHQLLSLHGGSTPGSGGPPREGGAHITQPCGSGGSVDPELFLPSNTLP
TYEQLTVPRRGPDEGS
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| BDBM50031720 |
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| n/a |
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| Name | BDBM50031720 |
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| Synonyms: | (Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methylamino}-ethoxy)-phenyl]-methanesulfonamide | CHEMBL473 | DOFETILIDE | N-[4-(2-{[2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-METHYL-AMINO}-ETHOXY)-PHENYL]-METHANESULFONAMIDE DOFETILIDE | N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (UK-68798) | N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (dofetilide) | N-[4-(2-{[2-(4-methanesulfonylamino-phenoxy)-ethyl]-methyl-amino}-ethyl)-phenyl]-methanesulfonamide | TIKOSYN | UK-68,798 | US10167299, Dofetilide |
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| Type | Small organic molecule |
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| Emp. Form. | C19H27N3O5S2 |
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| Mol. Mass. | 441.565 |
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| SMILES | CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 |
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| Structure | 
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