Target
Potassium voltage-gated channel subfamily E/KQT member 1
Ligand
BDBM50417287
Substrate
n/a
Meas. Tech.
ChEMBL_1478596 (CHEMBL3430497)
IC50
50119±n/a nM
Citation
 Mirams, GRDavies, MRBrough, SJBridgland-Taylor, MHCui, YGavaghan, DJAbi-Gerges, N Prediction of Thorough QT study results using action potential simulations based on ion channel screens. J Pharmacol Toxicol Methods 70:246-54 (2014) [PubMed]  Article 
Target
Name:
Potassium voltage-gated channel subfamily E/KQT member 1
Synonyms:
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 | Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 158552
Components:
This complex has 2 components.
Component 1
Name:
Potassium voltage-gated channel subfamily E member 1
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
Type:
PROTEIN
Mol. Mass.:
14676.11
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1456351
Residue:
129
Sequence:
MILSNTTAVTPFLTKLWQETVQQGGNMSGLARRSPRSSDGKLEALYVLMVLGFFGFFTLGIMLSYIRSKKLEHSNDPFNVYIESDAWQEKDKAYVQARVLESYRSCYVVENHLAIEQPNTHLPETKPSP
  
Component 2
Name:
Potassium voltage-gated channel subfamily KQT member 1
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
Type:
PROTEIN
Mol. Mass.:
74739.00
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454245
Residue:
676
Sequence:
MAAASSPPRAERKRWGWGRLPGARRGSAGLAKKCPFSLELAEGGPAGGALYAPIAPGAPGPAPPASPAAPAAPPVASDLGPRPPVSLDPRVSIYSTRRPVLARTHVQGRVYNFLERPTGWKCFVYHFAVFLIVLVCLIFSVLSTIEQYAALATGTLFWMEIVLVVFFGTEYVVRLWSAGCRSKYVGLWGRLRFARKPISIIDLIVVVASMVVLCVGSKGQVFATSAIRGIRFLQILRMLHVDRQGGTWRLLGSVVFIHRQELITTLYIGFLGLIFSSYFVYLAEKDAVNESGRVEFGSYADALWWGVVTVTTIGYGDKVPQTWVGKTIASCFSVFAISFFALPAGILGSGFALKVQQKQRQKHFNRQIPAAASLIQTAWRCYAAENPDSSTWKIYIRKAPRSHTLLSPSPKPKKSVVVKKKKFKLDKDNGVTPGEKMLTVPHITCDPPEERRLDHFSVDGYDSSVRKSPTLLEVSMPHFMRTNSFAEDLDLEGETLLTPITHISQLREHHRATIKVIRRMQYFVAKKKFQQARKPYDVRDVIEQYSQGHLNLMVRIKELQRRLDQSIGKPSLFISVSEKSKDRGSNTIGARLNRVEDKVTQLDQRLALITDMLHQLLSLHGGSTPGSGGPPREGGAHITQPCGSGGSVDPELFLPSNTLPTYEQLTVPRRGPDEGS
  
Inhibitor
Name:
BDBM50417287
Synonyms:
Aloxi | Aurothioglucose | PALONOSETRON | PALONOSETRON HYDROCHLORIDE
Type:
Small organic molecule
Emp. Form.:
C19H24N2O
Mol. Mass.:
296.4067
SMILES:
O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)|
Structure:
Search PDB for entries with ligand similarity: