Reaction Details |
| Report a problem with these data |
Target | Protease |
---|
Ligand | BDBM50504135 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1813620 (CHEMBL4313194) |
---|
Ki | 0.090000±n/a nM |
---|
Citation | Rusere, LN; Lockbaum, GJ; Lee, SK; Henes, M; Kosovrasti, K; Spielvogel, E; Nalivaika, EA; Swanstrom, R; Yilmaz, NK; Schiffer, CA; Ali, A HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J Med Chem62:8062-8079 (2019) [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
|
|
|
BDBM50504135 |
---|
n/a |
---|
Name | BDBM50504135 |
Synonyms: | CHEMBL4459766 |
Type | Small organic molecule |
Emp. Form. | C29H40N2O9S |
Mol. Mass. | 592.701 |
SMILES | [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(cc1)[C@@H](O)CO |r| |
Structure |
|