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Target
Reverse transcriptase
Ligand
BDBM50479959
Substrate
n/a
Meas. Tech.
ChEMBL_564789 (CHEMBL954255)
IC50
33±n/a nM
Citation
 Piscitelli, F; Coluccia, A; Brancale, A; La Regina, G; Sansone, A; Giordano, C; Balzarini, J; Maga, G; Zanoli, S; Samuele, A; Cirilli, R; La Torre, F; Lavecchia, A; Novellino, E; Silvestri, R Indolylarylsulfones bearing natural and unnatural amino acids. Discovery of potent inhibitors of HIV-1 non-nucleoside wild type and resistant mutant strains reverse transcriptase and coxsackie B4 virus. J Med Chem 52:1922-34 (2009) [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:
BDBM50479959
Synonyms:
CHEMBL512486
Type:
Small organic molecule
Emp. Form.:
C21H22N4O6S
Mol. Mass.:
458.488
SMILES:
CC(CC(N)=O)NC(=O)c1[nH]c2ccc(cc2c1S(=O)(=O)c1cc(C)cc(C)c1)[N+]([O-])=O
Structure:
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