Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM50156009 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_303547 (CHEMBL839752) |
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Ki | 0.600000±n/a nM |
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Citation | Huang, D; Caflisch, A Efficient evaluation of binding free energy using continuum electrostatics solvation. J Med Chem47:5791-7 (2004) [PubMed] Article |
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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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BDBM50156009 |
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n/a |
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Name | BDBM50156009 |
Synonyms: | 2-(2-{(2R,4S)-5-[2-(2-Amino-propionylamino)-propionylamino]-4-hydroxy-2-isobutyl-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester | CHEMBL3143751 |
Type | Small organic molecule |
Emp. Form. | C33H55N5O7 |
Mol. Mass. | 633.8191 |
SMILES | COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C |
Structure |
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