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Target
Reverse transcriptase
Ligand
BDBM2906
Substrate
n/a
Meas. Tech.
ChEMBL_1548831 (CHEMBL3755387)
IC50
82±n/a nM
Citation
 Bastos, MM; Costa, CC; Bezerra, TC; da Silva, Fde C; Boechat, N Efavirenz a nonnucleoside reverse transcriptase inhibitor of first-generation: Approaches based on its medicinal chemistry. Eur J Med Chem 108:455-65 (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:
BDBM2906
Synonyms:
(3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one | 4,1-Benzoxazepinone analogue 1f
Type:
Small organic molecule
Emp. Form.:
C16H13ClF3NO2
Mol. Mass.:
343.728
SMILES:
C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
Structure:
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