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Target
Reverse transcriptase
Ligand
BDBM2483
Substrate
n/a
Meas. Tech.
ChEMBL_1784955 (CHEMBL4256472)
IC50
6.0±n/a nM
Citation
 Kang, D; Wang, Z; Zhang, H; Wu, G; Zhao, T; Zhou, Z; Huo, Z; Huang, B; Feng, D; Ding, X; Zhang, J; Zuo, X; Jing, L; Luo, W; Guma, S; Daelemans, D; Clercq, E; Pannecouque, C; Zhan, P; Liu, X Further Exploring Solvent-Exposed Tolerant Regions of Allosteric Binding Pocket for Novel HIV-1 NNRTIs Discovery. ACS Med Chem Lett 9:370-375 (2018) [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:
Search PDB for entries with ligand similarity: