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Target
HIV-1 protease
Ligand
BDBM519
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.07±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:
BDBM519
Synonyms:
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | CHEMBL114 | Fortovase | Invirase | Ro 31-8959 | SQV | Saquinavir
Type:
Small organic molecule
Emp. Form.:
C38H50N6O5
Mol. Mass.:
670.8408
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|
Structure:
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