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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Potassium voltage-gated channel subfamily H member 2 | ||
| Ligand | BDBM50579985 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2278334 | ||
| IC50 | >4700±n/a nM | ||
| Citation |  Lorthiois, E; Gerspacher, M; Beyer, KS; Vaupel, A; Leblanc, C; Stringer, R; Weiss, A; Wilcken, R; Guthy, DA; Lingel, A; Bomio-Confaglia, C; Machauer, R; Rigollier, P; Ottl, J; Arz, D; Bernet, P; Desjonqueres, G; Dussauge, S; Kazic-Legueux, M; Lozac'h, MA; Mura, C; Sorge, M; Todorov, M; Warin, N; Zink, F; Voshol, H; Zecri, FJ; Sedrani, RC; Ostermann, N; Brachmann, SM; Cotesta, S JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS J Med Chem65:16173-16203 (2022) [PubMed] | ||
| 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: |
| ||
| BDBM50579985 | |||
| n/a | |||
| Name | BDBM50579985 | ||
| Synonyms: | JDQ-443 | JDQ443 | Jdq 443 | Jdq-443 | Nvp-jdq-443 | US11702409, Example 1b | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H28ClN7O | ||
| Mol. Mass. | 526.032 | ||
| SMILES | Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)| | ||
| Structure | 
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