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Literature summary for 3.4.23.16 extracted from

  • Khedkar, V.M.; Ambre, P.K.; Verma, J.; Shaikh, M.S.; Pissurlenkar, R.R.; Coutinho, E.C.
    Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors (2010), J. Mol. Model., 16, 1251-1268.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(2-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(2-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(3-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(3-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(3-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(4-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(4-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(4-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-1-decyl-5,6-dihydroxy-3-nonyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-iodobenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methoxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-nitrobenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylbenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one DMP323; enantiomer of DMP323 Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-en-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-yn-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1

Organism

Organism UniProt Comment Textmining
Human immunodeficiency virus 1
-
-
-

Synonyms

Synonyms Comment Organism
HIV-1 protease
-
Human immunodeficiency virus 1

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00000012
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00000012
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00000014
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00000031
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00000034
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00000042
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-iodobenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00000089
-
4,7-dibenzyl-1,3-bis(3-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000013
-
4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000014
-
4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000014
-
4,7-dibenzyl-1,3-bis(4-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000014
-
4,7-dibenzyl-1,3-bis(3-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000016
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methoxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000016
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000018
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000021
-
4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000028
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-nitrobenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000003
-
4,7-dibenzyl-1,3-bis(3-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000003
-
1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000043
-
4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000046
-
4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000052
-
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-en-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000052
-
4,7-dibenzyl-1,3-bis(4-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000058
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylbenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000071
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000071
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000072
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000079
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0000098
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000012
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000022
-
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-yn-1-yl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000022
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000027
-
4,7-dibenzyl-1,3-bis(4-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00003
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000034
-
4,7-dibenzyl-1,3-bis(2-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000036
-
4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000037
-
4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000049
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000051
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00006
-
4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000085
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.000089
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0001
-
4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00011
-
4,7-dibenzyl-1-decyl-5,6-dihydroxy-3-nonyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00014
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00016
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00024
-
4,7-dibenzyl-1,3-bis(2-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00026
-
4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.00079
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0011
-
4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0017
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0019
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.004
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0058
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
-
Human immunodeficiency virus 1
0.0078
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
-
Human immunodeficiency virus 1