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Target
Reverse transcriptase
Ligand
BDBM2483
Substrate
n/a
Meas. Tech.
ChEMBL_1435801 (CHEMBL3389556)
IC50
400±n/a nM
Citation
Famiglini, V; La Regina, G; Coluccia, A; Pelliccia, S; Brancale, A; Maga, G; Crespan, E; Badia, R; Riveira-Muñoz, E; Esté, JA; Ferretti, R; Cirilli, R; Zamperini, C; Botta, M; Schols, D; Limongelli, V; Agostino, B; Novellino, E; Silvestri, R Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem 57:9945-57 (2014) [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|