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Target
Reverse transcriptase
Ligand
BDBM50532854
Substrate
n/a
Meas. Tech.
ChEMBL_1924026 (CHEMBL4426982)
IC50
6690±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:
BDBM50532854
Synonyms:
CHEMBL4588569
Type:
Small organic molecule
Emp. Form.:
C27H21F2N3O
Mol. Mass.:
441.4719
SMILES:
CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1c(F)cccc1F |(64.49,-40.46,;65.82,-39.68,;64.89,-38.49,;66.31,-41.17,;67.81,-41.5,;68.03,-43.03,;68.84,-40.35,;68.36,-38.89,;66.86,-38.57,;69.39,-37.75,;70.89,-38.06,;72.13,-37.16,;72.13,-35.62,;70.8,-34.84,;70.8,-33.3,;69.46,-32.54,;68.13,-33.31,;68.13,-34.86,;69.47,-35.62,;73.38,-38.06,;72.9,-39.53,;73.81,-40.78,;74.71,-42.03,;71.36,-39.53,;70.34,-40.66,;71.1,-43.01,;72.61,-43.32,;73.64,-42.17,;73.09,-44.79,;72.06,-45.94,;70.55,-45.62,;70.08,-44.12,;68.57,-43.77,)|
Structure:
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