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TargetReverse transcriptase/RNaseH
LigandBDBM50036603
Substrate/Competitorn/a
Meas. Tech.ChEMBL_195058 (CHEMBL797513)
IC50 1140000±n/a nM
Citation Smith, RHJorgensen, WLTirado-Rives, JLamb, MLJanssen, PAMichejda, CJKroeger 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:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKVLFLDGID
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  Blast E-value cutoff:
BDBM50036603
n/a
NameBDBM50036603
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
TypeSmall organic molecule
Emp. Form.C17H20N4O
Mol. Mass.296.3669
SMILESC[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
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