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Target
Reverse transcriptase protein
Ligand
BDBM50478385
Substrate
n/a
Meas. Tech.
ChEMBL_479605 (CHEMBL926801)
IC50
1.3±n/a nM
Citation
 Tucker, TJ; Saggar, S; Sisko, JT; Tynebor, RM; Williams, TM; Felock, PJ; Flynn, JA; Lai, MT; Liang, Y; McGaughey, G; Liu, M; Miller, M; Moyer, G; Munshi, V; Perlow-Poehnelt, R; Prasad, S; Sanchez, R; Torrent, M; Vacca, JP; Wan, BL; Yan, Y The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg Med Chem Lett 18:2959-66 (2008) [PubMed]  Article 
Target
Name:
Reverse transcriptase protein
Synonyms:
Reverse Transcriptase | Reverse Transcriptase (A62V) | Reverse Transcriptase (F61A)
Type:
Protein
Mol. Mass.:
30203.56
Organism:
Human immunodeficiency virus 1
Description:
Q9WJQ2
Residue:
259
Sequence:
PISPIEPVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTRWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKRSVTVLDVGDAYFSVPLDKEFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLKWGFTTPDKKHQKEPPFLWMGYEHHPDKWTVQPIVLPEKDSWTVNDIQK
  
Inhibitor
Name:
BDBM50478385
Synonyms:
CHEMBL257172
Type:
Small organic molecule
Emp. Form.:
C22H15Cl3N2O5S
Mol. Mass.:
525.789
SMILES:
CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1
Structure:
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