Reaction Details |
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Target | Protease |
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Ligand | BDBM50493301 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_981456 (CHEMBL2428634) |
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Ki | 0.021000±n/a nM |
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Citation | Ghosh, AK; Parham, GL; Martyr, CD; Nyalapatla, PR; Osswald, HL; Agniswamy, J; Wang, YF; Amano, M; Weber, IT; Mitsuya, H Highly potent HIV-1 protease inhibitors with novel tricyclic P2 ligands: design, synthesis, and protein-ligand X-ray studies. J Med Chem56:6792-802 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Protease |
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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
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BDBM50493301 |
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n/a |
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Name | BDBM50493301 |
Synonyms: | CHEMBL2426458 |
Type | Small organic molecule |
Emp. Form. | C31H42N2O9S |
Mol. Mass. | 618.738 |
SMILES | [H][C@@]12COC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])[C@@]1([H])CCO[C@@]1([H])O2 |r| |
Structure |
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