Reaction Details | |||
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Target | Reverse transcriptase/RNaseH | ||
Ligand | BDBM50127555 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_197282 (CHEMBL804269) | ||
EC50 | 60±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: |
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BDBM50127555 | |||
n/a | |||
Name | BDBM50127555 | ||
Synonyms: | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-acetoxymethylbenzimidazole | Acetic acid 1-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazol-4-ylmethyl ester | CHEMBL58007 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H16F4N2O2 | ||
Mol. Mass. | 428.379 | ||
SMILES | CC(=O)OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(10.58,-5.81,;9.25,-6.59,;7.92,-5.82,;9.26,-8.13,;7.92,-8.9,;7.93,-10.44,;6.6,-11.21,;6.6,-12.75,;7.93,-13.52,;9.27,-12.75,;10.74,-13.21,;11.23,-14.68,;10.2,-15.83,;10.69,-17.27,;12.21,-17.58,;9.68,-18.43,;8.17,-18.11,;7.68,-16.66,;8.7,-15.5,;7.21,-15.1,;11.65,-11.95,;10.73,-10.72,;9.27,-11.21,;13.18,-11.95,;13.96,-13.28,;13.19,-14.61,;15.5,-13.28,;16.26,-11.93,;15.48,-10.6,;13.94,-10.62,;13.16,-9.27,)| | ||
Structure |