Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM855 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158026 (CHEMBL768619) |
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Ki | 0.3±n/a nM |
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Kd | 18±n/a nM |
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KON | 29300 M-1s-1 |
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Citation | Markgren, PO; Schaal, W; Hämäläinen, M; Karlén, A; Hallberg, A; Samuelsson, B; Danielson, UH Relationships between structure and interaction kinetics for HIV-1 protease inhibitors. J Med Chem45:5430-9 (2002) [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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BDBM855 |
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n/a |
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Name | BDBM855 |
Synonyms: | (2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy-3-oxocyclohex-1-en-1-yl)phenyl]methoxy})-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide | C2-Symmetric inhibitor 13 | CHEMBL338428 | N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)pro-pyl](2R,3R,4R,5R)-2,5-bis[4-(3-cyclohexane-1,2-dionyl)benzyloxy]-3,4-dihydroxyhexanediamide |
Type | Small organic molecule |
Emp. Form. | C44H58N4O12 |
Mol. Mass. | 834.9509 |
SMILES | CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| |
Structure |
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