85548e: structure given in first source; RN given for (2S-(2R*,4R*,5R*))-isomer [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 449613 |
| CHEMBL ID | 2062130 |
| MeSH ID | M0200907 |
| Synonym |
|---|
| (2s)-2-[[(2s,3s)-2-[[(2s,4s,5s)-5-[[(2s)-4-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-2-isopropyl-7-methyl-octanoyl]amino]-3-methyl-pentanoyl] |
| u-85548e |
| h-val-ser-gln-asn-leu-.psi.[ch(oh)ch2]-val-ile-val-oh |
| 8HVP |
| CHEMBL2062130 , |
| 85548e |
| bdbm50230843 |
| AKOS040746491 |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, HIV-1 PROTEASE | Human immunodeficiency virus 1 | Ki | 0.0010 | 0.0010 | 0.0010 | 0.0010 | AID977610 |
| Chain B, HIV-1 PROTEASE | Human immunodeficiency virus 1 | Ki | 0.0010 | 0.0010 | 0.0010 | 0.0010 | AID977610 |
| Protease | Human immunodeficiency virus 1 | Ki | 0.0010 | 0.0000 | 0.0443 | 3.1000 | AID162713 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID977610 | Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB | 1991 | Biochemistry, Feb-12, Volume: 30, Issue:6 | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. |
| AID1811 | Experimentally measured binding affinity data derived from PDB | 1991 | Biochemistry, Feb-12, Volume: 30, Issue:6 | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. |
| AID162713 | Binding affinity against HIV-1 aspartic proteinase was determined | 1993 | Journal of medicinal chemistry, Jul-23, Volume: 36, Issue:15 | Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 5 (83.33) | 18.2507 |
| 2000's | 1 (16.67) | 29.6817 |
| 2010's | 0 (0.00) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 7 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||