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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Reverse transcriptase/RNaseH | ||
| Ligand | BDBM50127556 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_197282 (CHEMBL804269) | ||
| EC50 | 45±n/a nM | ||
| Citation |  Kroeger Smith, MB; Hose, BM; Hawkins, A; Lipchock, J; Farnsworth, DW; Rizzo, RC; Tirado-Rives, J; Arnold, E; Zhang, W; Hughes, SH; Jorgensen, WL; Michejda, CJ; Smith, RH Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues. J Med Chem46:1940-7 (2003) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Reverse transcriptase/RNaseH | |||
| Name: | Reverse transcriptase/RNaseH | ||
| Synonyms: | HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 65229.15 | ||
| Organism: | Human immunodeficiency virus 1 | ||
| Description: | ChEMBL_1473730 | ||
| Residue: | 566 | ||
| Sequence: |
| ||
| BDBM50127556 | |||
| n/a | |||
| Name | BDBM50127556 | ||
| Synonyms: | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(azidomethylene)benzimidazole | 4-Azidomethyl-1-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazole | CHEMBL57770 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H13F4N5 | ||
| Mol. Mass. | 411.355 | ||
| SMILES | Fc1cccc(F)c1Cn1c(nc2c(CN=[N+]=[N-])cccc12)-c1c(F)cccc1F |(10.38,-13.25,;8.86,-12.94,;7.84,-14.09,;6.33,-13.78,;5.84,-12.32,;6.86,-11.17,;5.37,-10.76,;8.38,-11.48,;9.4,-10.34,;8.92,-8.87,;9.82,-7.63,;8.89,-6.37,;7.44,-6.86,;6.09,-6.09,;6.09,-4.56,;7.42,-3.79,;8.75,-3.02,;10.08,-2.25,;4.77,-6.88,;4.77,-8.4,;6.09,-9.19,;7.45,-8.4,;11.34,-7.61,;12.13,-8.94,;11.37,-10.28,;13.67,-8.94,;14.42,-7.59,;13.64,-6.26,;12.1,-6.28,;11.32,-4.95,)| | ||
| Structure | 
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