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Literature summary for 3.4.23.16 extracted from
- Exploring QSARs for inhibitory activity of non-peptide HIV-1 protease inhibitors by GA-PLS and GA-SVM (2010), Chem. Biol. Drug Des., 75, 506-514.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (4-[4-hydroxy-2-oxo-3-[(2-phenylethyl)sulfanyl]-2H-pyran-6-yl]phenoxy)acetic acid | - |
Human immunodeficiency virus 1 |  |
| (6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| (6S)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 2'-([4-[3-(4-bromophenyl)propanoyl]phenyl]acetyl)biphenyl-2-carboxylic acid | - |
Human immunodeficiency virus 1 | |
| 2-(2,5-dichlorobenzoyl)-4,5-dihydroxybenzoic acid | - |
Human immunodeficiency virus 1 | |
| 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate | - |
Human immunodeficiency virus 1 | |
| 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid | - |
Human immunodeficiency virus 1 | |
| 3-(benzylsulfanyl)-4-hydroxy-6,6-diphenyl-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-(benzylsulfanyl)-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-benzyl-4-hydroxy-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[(benzylsulfanyl)(phenyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[1-(benzylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[1-(cyclohexylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[1-(cyclopentylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[1-(cyclopentylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 3-[cyclopentyl(cyclopentylsulfanyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-(3-phenoxypropyl)-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-(4-phenylbutyl)-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-[3-(phenylsulfanyl)propyl]-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-[3-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-(3-methylphenyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-(4-hydroxyphenyl)-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-pentyl-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-6-propyl-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-(phenylsulfanyl)-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-5,6-dihydro-2H-pyran-2-one | - |
Human immunodeficiency virus 1 | |
| 4-hydroxy-7,8-dimethyl-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | - |
Human immunodeficiency virus 1 | |
| 5-(3-chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one | - |
Human immunodeficiency virus 1 | |
| 5-[4-hydroxy-6-oxo-2-phenyl-5-[(2-phenylethyl)sulfanyl]-3,6-dihydro-2H-pyran-2-yl]pentanoic acid | - |
Human immunodeficiency virus 1 | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Human immunodeficiency virus 1 | - |
- |
- |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| HIV-1 protease | - |
Human immunodeficiency virus 1 |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.0000036 | - |
- |
Human immunodeficiency virus 1 | 3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.000005 | - |
- |
Human immunodeficiency virus 1 | 5-[4-hydroxy-6-oxo-2-phenyl-5-[(2-phenylethyl)sulfanyl]-3,6-dihydro-2H-pyran-2-yl]pentanoic acid | |
| 0.0000062 | - |
- |
Human immunodeficiency virus 1 | (6S)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.000007 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-(3-methylphenyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one | |
| 0.0000073 | - |
- |
Human immunodeficiency virus 1 | (6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.0000098 | - |
- |
Human immunodeficiency virus 1 | 3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.000014 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-5,6-dihydro-2H-pyran-2-one | |
| 0.000017 | - |
- |
Human immunodeficiency virus 1 | 3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.000037 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one | |
| 0.000058 | - |
- |
Human immunodeficiency virus 1 | 3-[1-(cyclopentylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.00006 | - |
- |
Human immunodeficiency virus 1 | 3-(benzylsulfanyl)-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.000069 | - |
- |
Human immunodeficiency virus 1 | 3-[1-(cyclopentylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.000073 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.000084 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-pentyl-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one | |
| 0.000084 | - |
- |
Human immunodeficiency virus 1 | 3-[1-(benzylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.000096 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one | |
| 0.00013 | - |
- |
Human immunodeficiency virus 1 | (6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.00013 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-(phenylsulfanyl)-5,6-dihydro-2H-pyran-2-one | |
| 0.00015 | - |
- |
Human immunodeficiency virus 1 | 3-[1-(cyclohexylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.00016 | - |
- |
Human immunodeficiency virus 1 | (4-[4-hydroxy-2-oxo-3-[(2-phenylethyl)sulfanyl]-2H-pyran-6-yl]phenoxy)acetic acid | |
| 0.00023 | - |
- |
Human immunodeficiency virus 1 | 3-[cyclopentyl(cyclopentylsulfanyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.00026 | - |
- |
Human immunodeficiency virus 1 | 3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.00026 | - |
- |
Human immunodeficiency virus 1 | 3-(benzylsulfanyl)-4-hydroxy-6,6-diphenyl-5,6-dihydro-2H-pyran-2-one | |
| 0.00041 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-[3-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-2-one | |
| 0.00042 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-2H-pyran-2-one | |
| 0.00048 | - |
- |
Human immunodeficiency virus 1 | 3-[(benzylsulfanyl)(phenyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.00052 | - |
- |
Human immunodeficiency virus 1 | 4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one | |
| 0.00052 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-(4-hydroxyphenyl)-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one | |
| 0.00078 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]-2H-pyran-2-one | |
| 0.0013 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one | |
| 0.0017 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one | |
| 0.0017 | - |
- |
Human immunodeficiency virus 1 | 3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-one | |
| 0.0019 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-7,8-dimethyl-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | |
| 0.0021 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one | |
| 0.0023 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-(3-phenoxypropyl)-2H-chromen-2-one | |
| 0.003 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one | |
| 0.0051 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-6-propyl-5,6-dihydro-2H-pyran-2-one | |
| 0.0069 | - |
- |
Human immunodeficiency virus 1 | 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid | |
| 0.0081 | - |
- |
Human immunodeficiency virus 1 | 2-(2,5-dichlorobenzoyl)-4,5-dihydroxybenzoic acid | |
| 0.018 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | |
| 0.019 | - |
- |
Human immunodeficiency virus 1 | 2'-([4-[3-(4-bromophenyl)propanoyl]phenyl]acetyl)biphenyl-2-carboxylic acid | |
| 0.026 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-[3-(phenylsulfanyl)propyl]-2H-chromen-2-one | |
| 0.029 | - |
- |
Human immunodeficiency virus 1 | 5-(3-chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one | |
| 0.029 | - |
- |
Human immunodeficiency virus 1 | 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate | |
| 0.11 | - |
- |
Human immunodeficiency virus 1 | 4-hydroxy-3-(4-phenylbutyl)-2H-chromen-2-one | |
| 0.12 | - |
- |
Human immunodeficiency virus 1 | 3-benzyl-4-hydroxy-2H-chromen-2-one | |
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