Reaction Details Report a problem with these data
Target
HIV-1 protease
Ligand
BDBM578
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.005±0.0 nM
Citation
 Chellappan, S; Kiran Kumar Reddy, GS; Ali, A; Nalam, MN; Anjum, SG; Cao, H; Kairys, V; Fernandes, MX; Altman, MD; Tidor, B; Rana, TM; Schiffer, CA; Gilson, MK Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis. Chem Biol Drug Des 69:298-313 (2007) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
10653.94
Organism:
Human immunodeficiency virus
Description:
O90783
Residue:
98
Sequence:
PQVTLWQRPLVTIRVGGQLKEALLDTGADDTVLEDMNLPGRWKPKMIGGIGGFIKVRQYDQITVEICGHKAIGTVLVGPTPVNIIGRNLLTIGCTLNF
  
Inhibitor
Name:
BDBM578
Synonyms:
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | ABT-378 | Aluviran | CHEMBL729 | LPV | Lopinavir
Type:
Small organic molecule
Emp. Form.:
C37H48N4O5
Mol. Mass.:
628.8008
SMILES:
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r|
Structure:
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