Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM2483
Substrate
n/a
Meas. Tech.
ChEMBL_755189 (CHEMBL1805968)
Ki
0.300000±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
More Info.:
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:
BDBM2483
Synonyms:
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one | CHEMBL223228 | DMP-266 | EFV | Efavirenz | Efavirenz (EFV) | L-743,726 | Sustiva
Type:
Small organic molecule
Emp. Form.:
C14H9ClF3NO2
Mol. Mass.:
315.675
SMILES:
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|