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Target
Potassium voltage-gated channel subfamily H member 2
Ligand
BDBM50068005
Substrate
n/a
Meas. Tech.
ChEMBL_1463729 (CHEMBL3404543)
IC50
7300±n/a nM
Citation
 Singh, SB; Kaelin, DE; Wu, J; Miesel, L; Tan, CM; Black, T; Nargund, R; Meinke, PT; Olsen, DB; Lagrutta, A; Lu, J; Patel, S; Rickert, KW; Smith, RF; Soisson, S; Sherer, E; Joyce, LA; Wei, C; Peng, X; Wang, X; Fukuda, H; Kishii, R; Takei, M; Takano, H; Shibasaki, M; Yajima, M; Nishimura, A; Shibata, T; Fukuda, Y Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2). Bioorg Med Chem Lett 25:1831-5 (2015) [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:
BDBM50068005
Synonyms:
CHEMBL3400821
Type:
Small organic molecule
Emp. Form.:
C27H28FN5O5
Mol. Mass.:
521.5401
SMILES:
CO[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)|
Structure:
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