Reaction Details | |||
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Target | Reverse transcriptase/RNaseH | ||
Ligand | BDBM50036603 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_195058 (CHEMBL797513) | ||
IC50 | 1140000±n/a nM | ||
Citation | Smith, RH; Jorgensen, WL; Tirado-Rives, J; Lamb, ML; Janssen, PA; Michejda, CJ; Kroeger Smith, MB Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method. J Med Chem41:5272-86 (1999) [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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BDBM50036603 | |||
n/a | |||
Name | BDBM50036603 | ||
Synonyms: | (S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-oxo-1,2,6,7,8,9-hexahydro-2,7,9a-triaza-benzo[cd]azulene-5-carbonitrile | 8-Methyl-7-(3-methyl-but-2-enyl)-1-oxo-1,2,6,7,8,9-hexahydro-2,7,9a-triaza-benzo[cd]azulene-5-carbonitrile | CHEMBL293271 | ||
Type | Small organic molecule | ||
Emp. Form. | C17H20N4O | ||
Mol. Mass. | 296.3669 | ||
SMILES | C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=O)C#N |wD:1.0,(12.46,-15.2,;12.46,-13.65,;13.84,-12.99,;14.17,-11.48,;13.19,-10.28,;11.66,-10.29,;10.7,-11.5,;11.05,-13,;9.86,-13.98,;8.42,-13.44,;7.22,-14.4,;7.46,-15.92,;5.78,-13.86,;10.89,-8.96,;11.64,-7.62,;13.19,-7.62,;13.96,-8.96,;15.45,-9.28,;15.62,-10.8,;16.95,-11.57,;9.35,-8.97,;7.8,-8.97,)| | ||
Structure |