Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM335 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158026 (CHEMBL768619) |
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Ki | 10.1±n/a nM |
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Kd | 577±n/a nM |
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KON | 188000 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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BDBM335 |
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n/a |
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Name | BDBM335 |
Synonyms: | (3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-2-[3-(N-methylcarbamoyl)benzyl]-7-benzyl-1,2,7-thiadiazepine 1,1-Dioxide | 3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide | CHEMBL357057 | Cyclic Sulfamide deriv. 13 |
Type | Small organic molecule |
Emp. Form. | C34H37N3O7S |
Mol. Mass. | 631.738 |
SMILES | CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccccc3)S2(=O)=O)c1 |r| |
Structure |
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