Reaction Details  Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50483591
Substrate
n/a
Meas. Tech.
ChEMBL_735834 (CHEMBL1694226)
IC50
137±n/a nM
Citation
 Vadivelan, S; Deeksha, TN; Arun, S; Machiraju, PK; Gundla, R; Sinha, BN; Jagarlapudi, SA Virtual screening studies on HIV-1 reverse transcriptase inhibitors to design potent leads. Eur J Med Chem 46:851-9 (2011) [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:
BDBM50483591
Synonyms:
CHEMBL1689315
Type:
Small organic molecule
Emp. Form.:
C16H19NO2S2
Mol. Mass.:
321.458
SMILES:
CCOCC1C(=S)NC(=O)C(CC)=C1Sc1ccccc1 |c:12|
Structure:
Search PDB for entries with ligand similarity: