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Target
Potassium voltage-gated channel subfamily H member 2
Ligand
BDBM50023586
Substrate
n/a
Meas. Tech.
ChEMBL_1453433 (CHEMBL3361754)
IC50
>333000±n/a nM
Citation
 Reck, F; Ehmann, DE; Dougherty, TJ; Newman, JV; Hopkins, S; Stone, G; Agrawal, N; Ciaccio, P; McNulty, J; Barthlow, H; O'Donnell, J; Goteti, K; Breen, J; Comita-Prevoir, J; Cornebise, M; Cronin, M; Eyermann, CJ; Geng, B; Carr, GR; Pandarinathan, L; Tang, X; Cottone, A; Zhao, L; Bezdenejnih-Snyder, N Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa. Bioorg Med Chem 22:5392-409 (2014) [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:
BDBM50023586
Synonyms:
CHEMBL3352849
Type:
Small organic molecule
Emp. Form.:
C24H29N7O4
Mol. Mass.:
479.5316
SMILES:
[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(29.6,-27.63,;28.28,-26.87,;26.94,-26.11,;26.94,-24.57,;28.27,-23.79,;29.6,-24.56,;29.61,-26.1,;28.27,-22.25,;29.6,-21.48,;30.93,-22.25,;30.93,-23.8,;32.26,-24.56,;33.59,-23.79,;34.92,-24.56,;36.27,-23.79,;36.27,-22.24,;37.6,-21.47,;34.92,-21.46,;33.59,-22.24,;32.25,-21.48,;28.29,-28.41,;29.62,-29.17,;26.96,-29.19,;26.97,-30.73,;25.63,-31.51,;24.3,-30.75,;22.97,-31.52,;21.63,-30.75,;20.3,-31.52,;22.97,-33.06,;24.3,-33.84,;25.64,-33.07,;26.98,-33.84,;28.32,-33.06,;28.32,-31.5,;29.65,-30.73,)|
Structure:
Search PDB for entries with ligand similarity: