Target
Reverse transcriptase protein
Ligand
BDBM50484040
Substrate
n/a
Meas. Tech.
ChEMBL_755188 (CHEMBL1805967)
Ki
4.2±n/a nM
Citation
 Su, DSLim, JJTinney, ETucker, TJSaggar, SSisko, JTWan, BLYoung, MBAnderson, KDRudd, DMunshi, VBahnck, CFelock, PJLu, MLai, MTTouch, SMoyer, GDistefano, DJFlynn, JALiang, YSanchez, RPerlow-Poehnelt, RMiller, MVacca, JPWilliams, TMAnthony, 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 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:
BDBM50484040
Synonyms:
CHEMBL1801228
Type:
Small organic molecule
Emp. Form.:
C21H15Cl2N5O2
Mol. Mass.:
440.282
SMILES:
Cn1cc(cn1)-c1cc(COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)n[nH]1
Structure:
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