| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
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| Ligand | BDBM1146 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158035 (CHEMBL768259) |
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| Ki | 0.128825±n/a nM |
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| Citation |  Nair, AC; Jayatilleke, P; Wang, X; Miertus, S; Welsh, WJ Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-based properties. J Med Chem45:973-83 (2002) [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] |
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| Synonyms: | Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 10781.16 |
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| Organism: | Human immunodeficiency virus type 1 |
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| Description: | P04585[489-587] |
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| Residue: | 99 |
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| Sequence: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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| BDBM1146 |
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| n/a |
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| Name | BDBM1146 |
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| Synonyms: | (4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hydroxy-3-[(3-methyl-1H-indazol-5-yl)methyl]-4-(2-phenylethyl)-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-1-(3-aminophenyl-methyl)-3-[3-methyl-1H-indazol-5-ylmethyl]-4-(2-phenylethyl)-5-hydroxy-6-phenylmethyl-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 94 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H37N5O2 |
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| Mol. Mass. | 559.7006 |
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| SMILES | Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| |
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| Structure | 
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