| Reaction Details |
|---|
 | Report a problem with these data |
| Target | HIV-1 protease |
|---|
| Ligand | BDBM519 |
|---|
| Substrate/Competitor | 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 Des69:298-313 (2007) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| HIV-1 protease |
|---|
| Name: | HIV-1 protease |
|---|
| Synonyms: | n/a |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 10653.94 |
|---|
| Organism: | Human immunodeficiency virus |
|---|
| Description: | O90783 |
|---|
| Residue: | 98 |
|---|
| Sequence: | PQVTLWQRPLVTIRVGGQLKEALLDTGADDTVLEDMNLPGRWKPKMIGGIGGFIKVRQYD
QITVEICGHKAIGTVLVGPTPVNIIGRNLLTIGCTLNF
|
|
|
|---|
| BDBM519 |
|---|
| n/a |
|---|
| 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 | 
|
|---|
Search and Browse
