Reaction Details |
| Report a problem with these data |
Target | Protease |
---|
Ligand | BDBM50213021 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_469686 (CHEMBL946814) |
---|
Ki | 0.138±n/a nM |
---|
Citation | Mimoto, T; Nojima, S; Terashima, K; Takaku, H; Shintani, M; Hayashi, H Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure. Bioorg Med Chem16:1299-308 (2008) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Protease |
---|
Name: | Protease |
Synonyms: | n/a |
Type: | Enzyme |
Mol. Mass.: | 10904.79 |
Organism: | Human immunodeficiency virus 1 (HIV-1) |
Description: | Q9YQ12 |
Residue: | 99 |
Sequence: | PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
|
|
BDBM50213021 |
---|
n/a |
---|
Name | BDBM50213021 |
Synonyms: | CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | Ro-318959000 | Saquinavir | US10806794, Compound Saquinavir |
Type | Small organic molecule |
Emp. Form. | C38H50N6O5 |
Mol. Mass. | 670.8408 |
SMILES | [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| |
Structure |
|