Reaction Details |
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Target | Protease |
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Ligand | BDBM50180655 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_821526 (CHEMBL2038194) |
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IC50 | 25±n/a nM |
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Citation | Pawar, SA; Jabgunde, AM; Govender, P; Maguire, GE; Kruger, HG; Parboosing, R; Soliman, ME; Sayed, Y; Dhavale, DD; Govender, T Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease. Eur J Med Chem53:13-21 (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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BDBM50180655 |
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n/a |
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Name | BDBM50180655 |
Synonyms: | A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | Kaletra | Lopinavir | med.21724, Compound 185 |
Type | Small organic molecule |
Emp. Form. | C37H48N4O5 |
Mol. Mass. | 628.8008 |
SMILES | CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |
Structure |
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