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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Potassium voltage-gated channel subfamily H member 2 | ||
| Ligand | BDBM50517285 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1868814 (CHEMBL4369880) | ||
| IC50 | >30000±n/a nM | ||
| Citation |  Thomas, MG; De Rycker, M; Ajakane, M; Albrecht, S; Álvarez-Pedraglio, AI; Boesche, M; Brand, S; Campbell, L; Cantizani-Perez, J; Cleghorn, LAT; Copley, RCB; Crouch, SD; Daugan, A; Drewes, G; Ferrer, S; Ghidelli-Disse, S; Gonzalez, S; Gresham, SL; Hill, AP; Hindley, SJ; Lowe, RM; MacKenzie, CJ; MacLean, L; Manthri, S; Martin, F; Miguel-Siles, J; Nguyen, VL; Norval, S; Osuna-Cabello, M; Woodland, A; Patterson, S; Pena, I; Quesada-Campos, MT; Reid, IH; Revill, C; Riley, J; Ruiz-Gomez, JR; Shishikura, Y; Simeons, FRC; Smith, A; Smith, VC; Spinks, D; Stojanovski, L; Thomas, J; Thompson, S; Underwood, T; Gray, DW; Fiandor, JM; Gilbert, IH; Wyatt, PG; Read, KD; Miles, TJ Identification of GSK3186899/DDD853651 as a Preclinical Development Candidate for the Treatment of Visceral Leishmaniasis. J Med Chem62:1180-1202 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Potassium voltage-gated channel subfamily H member 2 | |||
| 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: |
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| BDBM50517285 | |||
| n/a | |||
| Name | BDBM50517285 | ||
| Synonyms: | CHEMBL4572962 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H37N7O4S | ||
| Mol. Mass. | 495.639 | ||
| SMILES | COc1nc(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)CCC(C)C)nc2[nH]nc(N3CCOC[C@H]3C)c12 |r,wU:6.5,wD:9.12,31.33,(12.05,-31.41,;10.72,-32.18,;10.72,-33.72,;12.06,-34.49,;12.06,-36.04,;13.4,-36.81,;14.73,-36.03,;14.71,-34.5,;16.05,-33.73,;17.39,-34.5,;17.38,-36.04,;16.05,-36.81,;18.72,-33.73,;20.05,-34.5,;20.81,-35.83,;19.28,-35.83,;21.39,-33.74,;22.72,-34.51,;24.06,-33.75,;25.39,-34.52,;24.06,-32.21,;10.72,-36.81,;9.39,-36.04,;7.92,-36.52,;7.01,-35.27,;7.91,-34.02,;7.43,-32.56,;8.45,-31.43,;7.97,-29.98,;6.47,-29.66,;5.45,-30.81,;5.93,-32.27,;4.91,-33.42,;9.38,-34.49,)| | ||
| Structure | 
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