Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetReverse transcriptase/RNaseH
LigandBDBM50183195
Substrate/Competitorn/a
Meas. Tech.ChEMBL_355438 (CHEMBL868998)
IC50>5000±n/a nM
Citation Muraglia, EKinzel, ODLaufer, RMiller, MDMoyer, GMunshi, VOrvieto, FPalumbi, MCPescatore, GRowley, MWilliams, PDSumma, V Tetrazole thioacetanilides: potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant. Bioorg Med Chem Lett16:2748-52 (2006) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50183195
n/a
NameBDBM50183195
Synonyms:2-(1-mesityl-1H-tetrazol-5-ylthio)-N-(4-nitrophenyl)acetamide | CHEMBL205041
TypeSmall organic molecule
Emp. Form.C18H18N6O3S
Mol. Mass.398.439
SMILESCc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)[N+]([O-])=O |(-7.23,-36.04,;-6.89,-34.53,;-8.03,-33.49,;-7.7,-31.98,;-8.83,-30.95,;-6.23,-31.52,;-5.09,-32.55,;-3.63,-32.08,;-5.42,-34.07,;-5.91,-30.01,;-6.93,-28.86,;-6.16,-27.53,;-4.65,-27.85,;-4.5,-29.38,;-3.17,-30.16,;-1.83,-29.39,;-.5,-30.16,;-.5,-31.7,;.83,-29.39,;2.17,-30.17,;2.16,-31.71,;3.49,-32.48,;4.83,-31.71,;4.82,-30.16,;3.49,-29.4,;6.16,-32.49,;6.16,-34.03,;7.5,-31.72,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: