Reaction Details Report a problem with these data
Target
Potassium voltage-gated channel subfamily H member 2
Ligand
BDBM50504106
Substrate
n/a
Meas. Tech.
ChEMBL_1813578 (CHEMBL4313152)
IC50
>40000±n/a nM
Citation
 Wang, Y; Dai, Y; Wu, X; Li, F; Liu, B; Li, C; Liu, Q; Zhou, Y; Wang, B; Zhu, M; Cui, R; Tan, X; Xiong, Z; Liu, J; Tan, M; Xu, Y; Geng, M; Jiang, H; Liu, H; Ai, J; Zheng, M Discovery and Development of a Series of Pyrazolo[3,4- J Med Chem 62:7473-7488 (2019) [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:
BDBM50504106
Synonyms:
CHEMBL4462946
Type:
Small organic molecule
Emp. Form.:
C26H24ClN7O3
Mol. Mass.:
517.967
SMILES:
CN(C)C\C=C\C(=O)Nc1ccc(cc1)-n1nc2c(c1-c1oc3ccc(Cl)cc3c1C)c(N)n[nH]c2=O |(69.7,-43.56,;68.16,-43.57,;67.4,-44.91,;67.38,-42.24,;65.84,-42.25,;65.06,-40.92,;63.52,-40.93,;62.76,-42.27,;62.75,-39.6,;61.21,-39.62,;60.44,-40.95,;58.9,-40.96,;58.13,-39.63,;58.88,-38.3,;60.42,-38.28,;56.59,-39.64,;55.7,-40.89,;54.23,-40.42,;54.23,-38.89,;55.68,-38.41,;56.15,-36.95,;55.24,-35.7,;56.14,-34.45,;55.81,-32.96,;56.94,-31.93,;58.41,-32.39,;59.55,-31.36,;58.74,-33.9,;57.6,-34.93,;57.61,-36.46,;58.86,-37.36,;52.9,-38.11,;52.9,-36.57,;51.57,-38.89,;51.57,-40.43,;52.9,-41.19,;52.9,-42.73,)|
Structure:
Search PDB for entries with ligand similarity: