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Target
Reverse transcriptase
Ligand
BDBM2483
Substrate
n/a
Meas. Tech.
ChEMBL_806933 (CHEMBL1959234)
IC50
3.0±n/a nM
Citation
 Distinto, S; Esposito, F; Kirchmair, J; Cardia, MC; Gaspari, M; Maccioni, E; Alcaro, S; Markt, P; Wolber, G; Zinzula, L; Tramontano, E Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach. Eur J Med Chem 50:216-29 (2012) [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:
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|
Structure:
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