Reaction Details | |||
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Target | Potassium voltage-gated channel subfamily H member 2 | ||
Ligand | BDBM50179774 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_336038 (CHEMBL865929) | ||
Ki | 1996±n/a nM | ||
Citation | Hollingworth, GJ; Carlson, EJ; Castro, JL; Chicchi, GG; Clark, N; Cooper, LC; Dirat, O; Salvo, JD; Elliott, JM; Kilburn, R; Kurtz, MM; Rycroft, W; Tattersall, FD; Tsao, KL; Swain, CJ Novel lactam NK1 antagonists with anti-emetic activity. Bioorg Med Chem Lett16:1197-201 (2006) [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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BDBM50179774 | |||
n/a | |||
Name | BDBM50179774 | ||
Synonyms: | 4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-2-oxopyrrolidin-1-yl)-4-phenylcyclohexyl)-1-phenylpiperazin-2-one | CHEMBL203961 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H33F6N3O2 | ||
Mol. Mass. | 629.6351 | ||
SMILES | FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1 |wU:20.21,wD:23.28,(4.25,-27.42,;2.93,-28.2,;2.14,-26.88,;3.71,-29.53,;1.6,-28.99,;.26,-28.24,;-1.06,-29.02,;-1.05,-30.56,;.29,-31.32,;1.62,-30.54,;.3,-32.86,;.29,-34.39,;1.84,-32.86,;-1.24,-32.87,;-2.56,-28.72,;-3.2,-27.31,;-4.73,-27.49,;-5.04,-29,;-3.7,-29.76,;-3.53,-31.29,;-6.36,-29.77,;-5.03,-30.55,;-5.03,-32.09,;-6.36,-32.85,;-7.69,-32.09,;-7.69,-30.55,;-6.36,-34.39,;-7.7,-35.17,;-7.7,-36.72,;-6.36,-37.48,;-5.03,-36.7,;-3.7,-37.47,;-5.03,-35.17,;-6.36,-39.02,;-7.69,-39.79,;-7.68,-41.33,;-6.35,-42.1,;-5.01,-41.31,;-5.02,-39.78,;-7.71,-29,;-7.71,-27.45,;-9.05,-26.68,;-10.39,-27.46,;-10.38,-29.02,;-9.04,-29.78,)| | ||
Structure |