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Target
Potassium voltage-gated channel subfamily H member 2
Ligand
BDBM50254134
Substrate
n/a
Meas. Tech.
ChEMBL_1686117 (CHEMBL4036596)
IC50
85900±n/a nM
Citation
 Mitton-Fry, MJ; Brickner, SJ; Hamel, JC; Barham, R; Brennan, L; Casavant, JM; Ding, X; Finegan, S; Hardink, J; Hoang, T; Huband, MD; Maloney, M; Marfat, A; McCurdy, SP; McLeod, D; Subramanyam, C; Plotkin, M; Reilly, U; Schafer, J; Stone, GG; Uccello, DP; Wisialowski, T; Yoon, K; Zaniewski, R; Zook, C Novel 3-fluoro-6-methoxyquinoline derivatives as inhibitors of bacterial DNA gyrase and topoisomerase IV. Bioorg Med Chem Lett 27:3353-3358 (2017) [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:
BDBM50254134
Synonyms:
CHEMBL4092041
Type:
Small organic molecule
Emp. Form.:
C29H31F3N2O4
Mol. Mass.:
528.5626
SMILES:
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1 |r,wU:11.11,15.14,20.21,(37.48,-48.35,;38.81,-47.58,;40.15,-48.35,;40.15,-49.89,;41.48,-50.67,;42.82,-49.89,;44.15,-50.66,;45.48,-49.88,;45.47,-48.33,;46.8,-47.56,;44.14,-47.57,;44.14,-46.03,;42.8,-45.27,;45.46,-45.25,;46.8,-46.02,;48.13,-45.24,;49.47,-46.01,;50.79,-45.24,;50.79,-43.7,;49.45,-42.93,;48.12,-43.7,;46.78,-42.94,;45.45,-43.72,;46.77,-41.4,;52.13,-42.93,;53.61,-43.33,;54,-41.84,;52.51,-41.45,;55.33,-41.07,;56.66,-41.84,;58,-41.07,;59.32,-41.84,;57.99,-39.53,;56.65,-38.76,;55.32,-39.54,;53.98,-38.77,;42.82,-48.34,;41.48,-47.58,)|
Structure:
Search PDB for entries with ligand similarity: