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TargetReverse transcriptase/RNaseH
LigandBDBM50127562
Substrate/Competitorn/a
Meas. Tech.ChEMBL_197282 (CHEMBL804269)
EC50 370±n/a nM
Citation Kroeger Smith, MBHose, BMHawkins, ALipchock, JFarnsworth, DWRizzo, RCTirado-Rives, JArnold, EZhang, WHughes, SHJorgensen, WLMichejda, CJSmith, 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:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKVLFLDGID
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  Blast E-value cutoff:
BDBM50127562
n/a
NameBDBM50127562
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
TypeSmall organic molecule
Emp. Form.C21H13F4N3O
Mol. Mass.399.341
SMILESNC(=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
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