Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50498740
Substrate
n/a
Meas. Tech.
ChEMBL_1522234 (CHEMBL3626463)
IC50
133000±n/a nM
Citation
 Wan, ZY; Yao, J; Mao, TQ; Wang, XL; Wang, HF; Chen, WX; Yin, H; Chen, FE; De Clercq, E; Daelemans, D; Pannecouque, C Pyrimidine sulfonylacetanilides with improved potency against key mutant viruses of HIV-1 by specific targeting of a highly conserved residue. Eur J Med Chem 102:215-22 (2015) [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:
BDBM50498740
Synonyms:
CHEMBL3623089
Type:
Small organic molecule
Emp. Form.:
C22H20N4O4S
Mol. Mass.:
436.484
SMILES:
Cc1cccc(NC(=O)CS(=O)(=O)c2nccc(Oc3c(C)cc(cc3C)C#N)n2)c1
Structure:
Search PDB for entries with ligand similarity: