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Target
Potassium voltage-gated channel subfamily H member 2
Ligand
BDBM50084717
Substrate
n/a
Meas. Tech.
ChEMBL_307245 (CHEMBL829152)
IC50
7244.36±n/a nM
Citation
 Tobita, M; Nishikawa, T; Nagashima, R A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors. Bioorg Med Chem Lett 15:2886-90 (2005) [PubMed]  Article 
Target
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:
MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSPAHDTNHRGPPTSWLAPGRAKTFRLKLPALLALTARESSVRSGGAGGAGAPGAVVVDVDLTPAAPSSESLALDEVTAMDNHVAGLGPAEERRALVGPGSPPRSAPGQLPSPRAHSLNPDASGSSCSLARTRSRESCASVRRASSADDIEAMRAGVLPPPPRHASTGAMHPLRSGLLNSTSDSDLVRYRTISKIPQITLNFVDLKGDPFLASPTSDREIIAPKIKERTHNVTEKVTQVLSLGADVLPEYKLQAPRIHRWTILHYSPFKAVWDWLILLLVIYTAVFTPYSAAFLLKETEEGPPATECGYACQPLAVVDLIVDIMFIVDILINFRTTYVNANEEVVSHPGRIAVHYFKGWFLIDMVAAIPFDLLIFGSGSEELIGLLKTARLLRLVRVARKLDRYSEYGAAVLFLLMCTFALIAHWLACIWYAIGNMEQPHMDSRIGWLHNLGDQIGKPYNSSGLGGPSIKDKYVTALYFTFSSLTSVGFGNVSPNTNSEKIFSICVMLIGSLMYASIFGNVSAIIQRLYSGTARYHTQMLRVREFIRFHQIPNPLRQRLEEYFQHAWSYTNGIDMNAVLKGFPECLQADICLHLNRSLLQHCKPFRGATKGCLRALAMKFKTTHAPPGDTLVHAGDLLTALYFISRGSIEILRGDVVVAILGKNDIFGEPLNLYARPGKSNGDVRALTYCDLHKIHRDDLLEVLDMYPEFSDHFWSSLEITFNLRDTNMIPGSPGSTELEGGFSRQRKRKLSFRRRTDKDTEQPGEVSALGPGRAGAGPSSRGRPGGPWGESPSSGPSSPESSEDEGPGRSSSPLRLVPFSSPRPPGEPPGGEPLMEDCEKSSDTCNPLSGAFSGVSNIFSFWGDSRGRQYQELPRCPAPTPSLLNIPLSSPGRRPRGDVESRLDALQRQLNRLETRLSADMATVLQLLQRQMTLVPPAYSAVTTPGPGPTSTSPLLPVSPLPTLTLDSLSQVSQFMACEELPPGAPELPQEGPTRRLSLPGQLGALTSQPLHRHGSDPGS
  
Inhibitor
Name:
BDBM50084717
Synonyms:
(+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (-)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1S,2R,3S,5R)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (2R,3S)-3-Benzoyloxy-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane | (2R,3S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,5R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,8S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (3S,5R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (3S,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (R)-3-Benzoyloxy-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane | (R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (cocaine)3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine) | 3-Benzoyloxy-6-methyl-6-aza-bicyclo[3.2.2]nonane-4-carboxylic acid methyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid ethyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine(-)) | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine) | 3-Naphthalen-2-yl-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester | 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one | 8-Methyl-8-aza-bicyclo[3.2.1]octane-2,3-dicarboxylic acid 2-methyl ester 3-phenyl ester(cocaine) | CHEMBL120901 | COCAINE | R-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | S-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | methyl 8-methyl-3-phenylcarbonyloxy-(3S)-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl 8-methyl-3-phenylcarbonyloxy-(3S,5R)-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl 8-methyl-3-phenylcarbonyloxy-(5R)-8-azabicyclo[3.2.1]octane-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C17H21NO4
Mol. Mass.:
303.3529
SMILES:
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Structure:
Search PDB for entries with ligand similarity: