Target
Reverse transcriptase
Ligand
BDBM50492161
Substrate
n/a
Meas. Tech.
ChEMBL_968173 (CHEMBL2399276)
IC50
8.2±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 Lett 23:3967-75 (2013) [PubMed]  Article 
Target
Name:
Reverse transcriptase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29598.37
Organism:
Human immunodeficiency virus 1
Description:
Q9WKE8
Residue:
254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVFAIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVN
  
Inhibitor
Name:
BDBM50492161
Synonyms:
CHEMBL2396665
Type:
Small organic molecule
Emp. Form.:
C27H29N7O3
Mol. Mass.:
499.5643
SMILES:
CNc1ccc(cn1)-c1nc(=O)n(CCC2CC(C)(C)CO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Structure:
Search PDB for entries with ligand similarity: