Reaction Details |
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Target | Protease |
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Ligand | BDBM50469411 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1804115 (CHEMBL4276407) |
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Ki | 0.630000±n/a nM |
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Citation | Ghosh, AK; Williams, JN; Ho, RY; Simpson, HM; Hattori, SI; Hayashi, H; Agniswamy, J; Wang, YF; Weber, IT; Mitsuya, H Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J Med Chem61:9722-9737 (2018) [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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BDBM50469411 |
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n/a |
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Name | BDBM50469411 |
Synonyms: | CHEMBL4279922 |
Type | Small organic molecule |
Emp. Form. | C35H43N3O9S |
Mol. Mass. | 681.796 |
SMILES | [H][C@@]12C[C@@H](C[C@]1([H])N(C(=O)O2)c1ccc(OC)cc1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| |
Structure |
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