Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50075207
Substrate
n/a
Meas. Tech.
ChEMBL_1473737 (CHEMBL3418254)
IC50
200±n/a nM
Citation
 Vernekar, SK; Liu, Z; Nagy, E; Miller, L; Kirby, KA; Wilson, DJ; Kankanala, J; Sarafianos, SG; Parniak, MA; Wang, Z Design, synthesis, biochemical, and antiviral evaluations of C6 benzyl and C6 biarylmethyl substituted 2-hydroxylisoquinoline-1,3-diones: dual inhibition against HIV reverse transcriptase-associated RNase H and polymerase with antiviral activities. J Med Chem 58:651-64 (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:
BDBM50075207
Synonyms:
CHEMBL3414871
Type:
Small organic molecule
Emp. Form.:
C22H18N2O5S
Mol. Mass.:
422.454
SMILES:
NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Structure:
Search PDB for entries with ligand similarity: