Reaction Details | |||
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Target | Reverse transcriptase/RNaseH | ||
Ligand | BDBM17676 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_197282 (CHEMBL804269) | ||
EC50 | 2400±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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BDBM17676 | |||
n/a | |||
Name | BDBM17676 | ||
Synonyms: | 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N-methyl-1H-1,3-benzodiazol-4-amine | CHEMBL294604 | benzimidazole analogue, 58 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H15F4N3 | ||
Mol. Mass. | 385.3575 | ||
SMILES | CNc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)| | ||
Structure |