Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetReverse transcriptase
LigandBDBM50492178
Substrate/Competitorn/a
Meas. Tech.ChEMBL_968173 (CHEMBL2399276)
IC50 9.9±n/a nM
Citation Sturino, CFBousquet, YJames, CADeRoy, PDuplessis, MEdwards, PJHalmos, TMinville, JMorency, LMorin, SThavonekham, BTremblay, MDuan, JRibadeneira, MGarneau, MPelletier, ATremblay, SLamorte, LBethell, RCordingley, MGRajotte, DSimoneau, B Identification of potent and orally bioavailable nucleotide competing reverse transcriptase inhibitors: in vitro and in vivo optimization of a series of benzofurano[3,2-d]pyrimidin-2-one derived inhibitors. Bioorg Med Chem Lett23:3967-75 (2013) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50492178
n/a
NameBDBM50492178
Synonyms:CHEMBL2397551
TypeSmall organic molecule
Emp. Form.C22H20N6O3S
Mol. Mass.448.498
SMILESCn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cscn1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: