Reaction Details | |||
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Target | Reverse transcriptase/RNaseH | ||
Ligand | BDBM50127562 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_197282 (CHEMBL804269) | ||
EC50 | 370±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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BDBM50127562 | |||
n/a | |||
Name | BDBM50127562 | ||
Synonyms: | 1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazole-4-carboxylic acid amide | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-1H-benzo[d]imidazole-4-carboxamide | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)benzimidazole-4-carboxylic acid amide | CHEMBL292138 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H13F4N3O | ||
Mol. Mass. | 399.341 | ||
SMILES | NC(=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(-6.46,-17.11,;-7.79,-17.88,;-9.13,-17.11,;-7.79,-19.42,;-9.12,-20.19,;-9.12,-21.74,;-7.79,-22.51,;-6.45,-21.73,;-4.98,-22.2,;-4.49,-23.66,;-5.51,-24.81,;-5.03,-26.26,;-3.52,-26.57,;-6.04,-27.41,;-7.56,-27.1,;-8.04,-25.64,;-7.02,-24.49,;-7.5,-23.03,;-4.08,-20.94,;-4.99,-19.7,;-6.45,-20.18,;-2.54,-20.93,;-1.76,-22.26,;-2.53,-23.6,;-.22,-22.26,;.54,-20.92,;-.25,-19.58,;-1.78,-19.6,;-2.56,-18.27,)| | ||
Structure |