Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Reverse transcriptase/RNaseH | ||
Ligand | BDBM50127554 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_197282 (CHEMBL804269) | ||
EC50 | 50±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: |
| ||
BDBM50127554 | |||
n/a | |||
Name | BDBM50127554 | ||
Synonyms: | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-hydroxymethylbenzimidazole | CHEMBL292831 | [1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazol-4-yl]-methanol | ||
Type | Small organic molecule | ||
Emp. Form. | C21H14F4N2O | ||
Mol. Mass. | 386.3423 | ||
SMILES | OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)| | ||
Structure |