Reaction Details |
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Target | Potassium voltage-gated channel subfamily H member 2 |
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Ligand | BDBM50022889 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_556369 (CHEMBL954102) |
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IC50 | 5623.41±n/a nM |
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Citation | Jia, L; Sun, H Support vector machines classification of hERG liabilities based on atom types. Bioorg Med Chem16:6252-60 (2008) [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 H member 2 |
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Name: | Potassium voltage-gated channel subfamily H member 2 |
Synonyms: | 1,3-beta-glucan synthase component GLS2 | Cytochrome P450 3A4 | ERG | ERG1 | Eag-related protein 1 | Ether a-go-go related gene potassium channel (hERG) | Ether-a-go-go-related gene (HERG) | Ether-a-go-go-related gene potassium channel (hERG) | Ether-a-go-go-related gene potassium channel 1 | Ether-a-go-go-related gene potassium channel 1 (HERG) | Ether-a-go-go-related gene potassium channel 1 (hERG1) | Ether-a-go-go-related protein (hERG) | Ether-a-go-go-related protein 1 | Ether-a-go-go-related protein 1 (HERG) | H-ERG | HERG | KCNH2 | KCNH2_HUMAN | Potassium voltage-gated channel subfamily H member 2 (hERG) | Transcriptional regulator ERG | Voltage-gated potassium channel subunit Kv11.1 | eag homolog | hERG Potassium Channel 1 | putative potassium channel subunit |
Type: | Multi-pass membrane protein |
Mol. Mass.: | 126672.65 |
Organism: | Homo sapiens (Human) |
Description: | Q12809 |
Residue: | 1159 |
Sequence: | MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVM
QRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDG
AVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSV
RSGGAGGAGAPGAVVVDVDLTPAAPSSESLALDEVTAMDNHVAGLGPAEERRALVGPGSP
PRSAPGQLPSPRAHSLNPDASGSSCSLARTRSRESCASVRRASSADDIEAMRAGVLPPPP
RHASTGAMHPLRSGLLNSTSDSDLVRYRTISKIPQITLNFVDLKGDPFLASPTSDREIIA
PKIKERTHNVTEKVTQVLSLGADVLPEYKLQAPRIHRWTILHYSPFKAVWDWLILLLVIY
TAVFTPYSAAFLLKETEEGPPATECGYACQPLAVVDLIVDIMFIVDILINFRTTYVNANE
EVVSHPGRIAVHYFKGWFLIDMVAAIPFDLLIFGSGSEELIGLLKTARLLRLVRVARKLD
RYSEYGAAVLFLLMCTFALIAHWLACIWYAIGNMEQPHMDSRIGWLHNLGDQIGKPYNSS
GLGGPSIKDKYVTALYFTFSSLTSVGFGNVSPNTNSEKIFSICVMLIGSLMYASIFGNVS
AIIQRLYSGTARYHTQMLRVREFIRFHQIPNPLRQRLEEYFQHAWSYTNGIDMNAVLKGF
PECLQADICLHLNRSLLQHCKPFRGATKGCLRALAMKFKTTHAPPGDTLVHAGDLLTALY
FISRGSIEILRGDVVVAILGKNDIFGEPLNLYARPGKSNGDVRALTYCDLHKIHRDDLLE
VLDMYPEFSDHFWSSLEITFNLRDTNMIPGSPGSTELEGGFSRQRKRKLSFRRRTDKDTE
QPGEVSALGPGRAGAGPSSRGRPGGPWGESPSSGPSSPESSEDEGPGRSSSPLRLVPFSS
PRPPGEPPGGEPLMEDCEKSSDTCNPLSGAFSGVSNIFSFWGDSRGRQYQELPRCPAPTP
SLLNIPLSSPGRRPRGDVESRLDALQRQLNRLETRLSADMATVLQLLQRQMTLVPPAYSA
VTTPGPGPTSTSPLLPVSPLPTLTLDSLSQVSQFMACEELPPGAPELPQEGPTRRLSLPG
QLGALTSQPLHRHGSDPGS
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BDBM50022889 |
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n/a |
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Name | BDBM50022889 |
Synonyms: | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-piperidin-2-yl)-methanol | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol( Mefloquine) | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol; (Mefloquine or MF) | (2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol | (S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(R)-piperidin-2-yl-methanol | (S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol | (S)-(2,8-bis(trifluoromethyl)quinolin-4-yl)((R)-piperidin-2-yl)methanol | 2,8-di(trifluoromethyl)-4-quinolyl-hexahydro-2-pyridinylmethanol(Mefloquine) | 2-[(2,8-Bis-trifluoromethyl-quinolin-4-yl)-hydroxy-methyl]-piperidinium | CHEMBL416956 | GNF-Pf-5544 | Lariam | MEFLOQUINE | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | med.21724, Compound Mefloquine | melfoquine | rac-mefloquine | rel-(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol |
Type | Small organic molecule |
Emp. Form. | C17H16F6N2O |
Mol. Mass. | 378.3122 |
SMILES | OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |
Structure |
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