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TargetReverse transcriptase
LigandBDBM50485631
Substrate/Competitorn/a
Meas. Tech.ChEMBL_842481 (CHEMBL2092206)
IC50 4400±n/a nM
Citation Li, XZhan, PLiu, HLi, DWang, LChen, XLiu, HPannecouque, CBalzarini, JDe Clercq, ELiu, X Arylazolyl(azinyl)thioacetanilides. Part 10: design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors. Bioorg Med Chem20:5527-36 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Reverse transcriptase
Name:Reverse transcriptase
Synonyms:n/a
Type:Protein
Mol. Mass.:29598.37
Organism:Human immunodeficiency virus 1
Description:Q9WKE8
Residue:254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVF
AIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLD
KDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIY
QYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTV
QPIVLPEKDSWTVN
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  Blast E-value cutoff:
BDBM50485631
n/a
NameBDBM50485631
Synonyms:CHEMBL2088335
TypeSmall organic molecule
Emp. Form.C23H22BrN5O3S2
Mol. Mass.560.486
SMILESCc1cc(C)c(c(C)c1)-n1c(SCC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)nc2cnccc12 |(-.67,-53.17,;-1.42,-51.82,;-2.96,-51.79,;-3.7,-50.45,;-5.24,-50.42,;-2.9,-49.13,;-1.37,-49.15,;-.58,-47.83,;-.62,-50.49,;-3.65,-47.78,;-2.75,-46.53,;-1.21,-46.52,;-.45,-45.18,;1.09,-45.17,;1.87,-46.5,;1.85,-43.84,;3.39,-43.83,;4.17,-45.16,;5.71,-45.15,;6.47,-43.81,;5.68,-42.48,;4.15,-42.5,;3.36,-41.17,;8,-43.8,;8.79,-45.13,;8,-42.26,;9.33,-43.02,;-3.67,-45.29,;-5.13,-45.77,;-6.46,-45.01,;-7.79,-45.78,;-7.79,-47.32,;-6.46,-48.1,;-5.12,-47.32,)|
Structure
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