Reaction Details  Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM2899
Substrate
n/a
Meas. Tech.
ChEMBL_1548831 (CHEMBL3755387)
IC50
23±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:
BDBM2899
Synonyms:
(4S)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one | DPC083
Type:
Small organic molecule
Emp. Form.:
C14H12ClF3N2O
Mol. Mass.:
316.706
SMILES:
FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)\C=C\C1CC1 |r|
Structure:
Search PDB for entries with ligand similarity: