Reaction Details |
| Report a problem with these data |
Target | Protease |
---|
Ligand | BDBM50520742 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1882113 (CHEMBL4383612) |
---|
Ki | 0.140000±n/a nM |
---|
Citation | Ghosh, AK; Jadhav, RD; Simpson, H; Kovela, S; Osswald, H; Agniswamy, J; Wang, YF; Hattori, SI; Weber, IT; Mitsuya, H Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem160:171-182 (2018) [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
|
|
|
BDBM50520742 |
---|
n/a |
---|
Name | BDBM50520742 |
Synonyms: | CHEMBL4526105 |
Type | Small organic molecule |
Emp. Form. | C37H49N3O8S |
Mol. Mass. | 695.865 |
SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2[C@@H](O)CC[C@H](NC(=O)OC(C)(C)C)c2c1 |r| |
Structure |
|