Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM50005701 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158033 (CHEMBL768257) |
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IC50 | 1.1±n/a nM |
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Citation | Waller, CL; Oprea, TI; Giolitti, A; Marshall, GR Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules. J Med Chem36:4152-60 (1994) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Gag-Pol polyprotein [489-587] |
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Name: | Gag-Pol polyprotein [489-587] |
Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
Type: | Enzyme Subunit |
Mol. Mass.: | 10781.16 |
Organism: | Human immunodeficiency virus type 1 |
Description: | P04585[489-587] |
Residue: | 99 |
Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM50005701 |
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n/a |
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Name | BDBM50005701 |
Synonyms: | CHEMBL337283 | N*1*-[1-Benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-hydroxy-3-oxo-propyl]-2-[(quinoline-2-carbonyl)-amino]-succinamide |
Type | Small organic molecule |
Emp. Form. | C33H40N6O6 |
Mol. Mass. | 616.7073 |
SMILES | CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |
Structure |
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