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Target
Reverse transcriptase
Ligand
BDBM50532856
Substrate
n/a
Meas. Tech.
ChEMBL_1924015 (CHEMBL4426971)
IC50
26000±n/a nM
Citation
 Stanton, RA; Lu, X; Detorio, M; Montero, C; Hammond, ET; Ehteshami, M; Domaoal, RA; Nettles, JH; Feraud, M; Schinazi, RF Discovery, characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors. Bioorg Med Chem Lett 26:4101-5 (2016) [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:
BDBM50532856
Synonyms:
CHEMBL4577153
Type:
Small organic molecule
Emp. Form.:
C29H27N3O
Mol. Mass.:
433.5442
SMILES:
Cc1cccc(C)c1-c1c2C(=O)CC(C)(C)Cc2nc2n(Cc3ccccc3)cc(C#N)c12 |(70.54,-26.87,;70.19,-28.41,;70.66,-29.87,;69.63,-31.02,;68.12,-30.7,;67.65,-29.2,;66.15,-28.85,;68.68,-28.09,;67.91,-25.75,;66.41,-25.44,;65.39,-26.58,;65.61,-28.11,;63.88,-26.25,;63.39,-24.76,;62.06,-25.54,;62.46,-23.57,;64.44,-23.65,;65.93,-23.97,;66.96,-22.83,;68.47,-23.15,;69.7,-22.24,;69.7,-20.7,;68.37,-19.92,;68.37,-18.38,;67.03,-17.62,;65.7,-18.39,;65.71,-19.94,;67.04,-20.7,;70.96,-23.14,;70.48,-24.61,;71.38,-25.86,;72.28,-27.11,;68.94,-24.61,)|
Structure:
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