| Reaction Details |
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 | Report a problem with these data |
| Target | Potassium voltage-gated channel subfamily H member 2 |
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| Ligand | BDBM50329227 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_675131 (CHEMBL1272988) |
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| IC50 | 15400±n/a nM |
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| Citation |  Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series. Bioorg Med Chem Lett20:6802-7 (2010) [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 |
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| 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 |
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| Type: | Multi-pass membrane protein |
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| Mol. Mass.: | 126672.65 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q12809 |
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| Residue: | 1159 |
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| 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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| BDBM50329227 |
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| n/a |
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| Name | BDBM50329227 |
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| Synonyms: | (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-fluorophenyl)-3-(1-(methylsulfonyl)piperidin-4-yl)propyl)hexa hydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone | (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(3-fluorophenyl)-3-(1-(methylsulfonyl)piperidin-4-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone | CHEMBL1269885 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H38FN5O3S |
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| Mol. Mass. | 543.696 |
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| SMILES | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1 |r| |
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| Structure | 
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