Reaction Details |
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Target | Protease |
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Ligand | BDBM50067593 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_830321 (CHEMBL2060910) |
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Kd | 5.5±n/a nM |
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Citation | Domínguez, JL; Gossas, T; Carmen Villaverde, M; Helena Danielson, U; Sussman, F Experimental and 'in silico' analysis of the effect of pH on HIV-1 protease inhibitor affinity: implications for the charge state of the protein ionogenic groups. Bioorg Med Chem20:4838-47 (2012) [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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BDBM50067593 |
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n/a |
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Name | BDBM50067593 |
Synonyms: | CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK-639 | US10806794, Compound Indinavir |
Type | Small organic molecule |
Emp. Form. | C36H47N5O4 |
Mol. Mass. | 613.7895 |
SMILES | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| |
Structure |
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