Reaction Details |
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Target | Gag-Pol polyprotein [489-587] |
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Ligand | BDBM1076 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158035 (CHEMBL768259) |
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Ki | 11±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] |
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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BDBM1076 |
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n/a |
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Name | BDBM1076 |
Synonyms: | (4R,5R,6R)-Tetrahydro-1,3-bis[(3-cyanophenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-4-benzyl-3-[(3-cyanophenyl)methyl]-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}benzonitrile | Tetrahydropyrimidinone deriv. 6 |
Type | Small organic molecule |
Emp. Form. | C35H32N4O2 |
Mol. Mass. | 540.6542 |
SMILES | O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r| |
Structure |
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