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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Genome polyprotein | ||
| Ligand | BDBM101312 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibition Assay | ||
| Temperature | 298.15±0 K | ||
| IC50 | 42±n/a nM | ||
| Citation |  Raboisson, PJ; Hu, L; Vendeville, SM; Nyanguile, O; Tahri, A Macrocyclic indoles as hepatitis C virus inhibitors US Patent US8524716 Publication Date 9/3/2013 | ||
| More Info.: | Get all data from this article, Solution Info, Assay Method | ||
| Genome polyprotein | |||
| Name: | Genome polyprotein | ||
| Synonyms: | POLG_HCVJ4 | RNA-directed RNA polymerase (NS5B) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 326827.17 | ||
| Organism: | Hepatitis C virus genotype 1b (strain HC-J4) (HCV) | ||
| Description: | O92972 | ||
| Residue: | 3010 | ||
| Sequence: |
| ||
| BDBM101312 | |||
| n/a | |||
| Name | BDBM101312 | ||
| Synonyms: | US8524716, 19 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C44H52FN7O8S2 | ||
| Mol. Mass. | 890.054 | ||
| SMILES | CN1C\C=C/CNC(=O)Cn2c(c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O)-c1ccc(OCc2cc(ccc2N2CCN(CC2)S(C)(=O)=O)N2CCCC2=O)cc1F |c:3,(-11.97,-2.04,;-10.64,-1.27,;-9.3,-2.04,;-8.42,-3.82,;-7.08,-4.59,;-3.88,-4.59,;-2.79,-3.5,;-3.19,-2.01,;-4.68,-1.61,;-2.1,-.92,;-2.5,.57,;-1.6,1.81,;-2.5,3.06,;-2.1,4.55,;-.62,4.95,;-.22,6.43,;-1.31,7.52,;-2.79,7.12,;-3.19,5.64,;-3.97,2.58,;-5.3,3.35,;-6.63,2.58,;-6.63,1.04,;-5.3,.27,;-3.97,1.04,;-7.97,.27,;-7.97,-1.27,;-9.3,1.04,;-10.64,.27,;-11.97,1.04,;-10.64,1.81,;-.06,1.81,;.71,3.15,;2.25,3.15,;3.02,1.81,;4.56,1.81,;5.33,.48,;6.87,.48,;7.64,1.81,;9.18,1.81,;9.95,.48,;9.18,-.85,;7.64,-.85,;6.87,-2.19,;5.33,-2.19,;4.56,-3.52,;5.33,-4.85,;6.87,-4.85,;7.64,-3.52,;4.56,-6.19,;5.33,-7.52,;3.02,-6.19,;3.79,-4.85,;9.95,3.15,;11.49,3.15,;11.97,4.61,;10.72,5.52,;9.48,4.61,;8.14,5.38,;2.25,.48,;.71,.48,;-.06,-.85,)| | ||
| Structure | 
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