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Target
Reverse transcriptase
Ligand
BDBM50484029
Substrate
n/a
Meas. Tech.
ChEMBL_755374 (CHEMBL1804530)
Ki
0.600000±n/a nM
Citation
 Su, DS; Lim, JJ; Tinney, E; Tucker, TJ; Saggar, S; Sisko, JT; Wan, BL; Young, MB; Anderson, KD; Rudd, D; Munshi, V; Bahnck, C; Felock, PJ; Lu, M; Lai, MT; Touch, S; Moyer, G; Distefano, DJ; Flynn, JA; Liang, Y; Sanchez, R; Perlow-Poehnelt, R; Miller, M; Vacca, JP; Williams, TM; Anthony, NJ Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif. Bioorg Med Chem Lett 20:4328-32 (2010) [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:
BDBM50484029
Synonyms:
CHEMBL1801258
Type:
Small organic molecule
Emp. Form.:
C24H14Cl3N7O2
Mol. Mass.:
538.773
SMILES:
Clc1c(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]c1-c1ccc(cc1)-c1nnn[nH]1
Structure:
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