(1S,2aR,3aR,3bS,4R,9aR,11aS)-2-(((1-(4-chloro3- nitrophenyl)-1H-1,2,3-triazol-4- yl)methoxy)imino)-1-(furan-3-yl) 3b,6,6,9a,11apentamethyl-7-oxo1,2,2a,3b,4,5,5a,6,7,9a,9b,10,11,11atetradecahydronaphtho(1,2':6,7) indeno(1,7ab)oxiren-4-yl acetate |
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(2R,3R,4R)-2-Benzyloxy-3,4-dihydroxy-N-[(1S,2R)- 2-hydroxyindan-1-yl]-4-[(2R)-3-oxo-1-oxa-4-aza-cyclotridec-2-yl]-butyramide
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(4R)-3-[(2S,3S)-3-[[(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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(4R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
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(5s,6r)-3-aza-3-benzyl-5-hydroxy-7-phenyl-6- [(picolyl-l-valinyl)amino]-heptanoyl amide |
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(S)-N-((2R,3S)-4-(4-(4-Bromobenzyl)piperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanamide. |
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(S)-N-((2R,3S)-4-(4-(4-Fluorobenzyl)piperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide. |
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1,2-dihydroxyethylene
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1,3,4-oxadiazole
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13- and 16-membred macrocycles
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2-Amino-3-(((2S*,5R*)-5-isopropyltetrahydrofuran-2-yl)methyl)-7- phenylquinazolin-4(3H)-one |
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2-Amino-7-phenyl-3-(((2R,5S)-5-phenyltetrahydrofuran-2-yl)methyl)quinazolin- 4(3H)-one |
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2-Amino-7-phenyl-3-(((2S*,5R*)-5-phenyltetrahydrofuran-2- yl)methyl)quinazolin-4(3H)-one |
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2-Bromo-3-(methylamino)-9,10-dihydro-9,10-[1,2]benzenoanthracene-1,4,5,8-tetrone |
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3-(7-(4-(4l3-butyl)phenyl)-2-amino-4-oxo-3-((tetrahydrofuran-2-yl)methyl)-3,4-dihydroquinazolin-5-yl)propanoic acid |
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4-aminopiperidine
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4-aminoquinoline
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7-azabicyclo[2.2.1]heptane
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Alln
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Atazanavir
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Atovaquone
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Aza-peptide
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C2-symmetric core structure |
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Diacylhydrazine
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Diphenylurea
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Doxorubicin
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Doxycycline
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E-64
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formaldehyde;propyl (2S)-6-amino-2-[[(2S)-2-[4-[4-[[(1S)-1-[[(1S,2S)-4-(butylamino)-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]phenoxy]anilino]-4-methyl-pentanoyl]amino]hexanoate |
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Fragment-based docking and consensus scoring, halofantrine, doxorubicin, lumefantrine |
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G16
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Halofantrine
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Hydroxylethylamine
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Indinavir
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Kni-10740
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Kni-10823
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Leupeptin
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Lopinavir
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Lumefantrine
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N,N'-((2R,2'R,3S,3'S)-piperazine-1,4-diylbis(3-hydroxy-1-phenylbutane-4,2-diyl))bis(2-(1,3-dioxoisoindolin-2-yl)-3 phenylpropanamide) |
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N-[(1S)-1-[[(1S,2S)-4-(butylamino)-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-2-methyl-butyl]-4-[4-[[2-[[(1S)-2-[4-[(6-methoxyquinoxalin-1-yl)amino]pentylamino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]phenoxy]benzamide |
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N-[(1S,2S)-3-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-1-(4-thiophen-3- yl-benzyloxymethyl)-propyl]-2,4,6-trifluoro-benzamide |
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N-[(2S)-1-{[(2S,3S)-5-{[(2S)-1-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-2-propanyl]amino}-1-{[4-(1,3-benzodioxol-5-yl)benzyl]oxy}-3-hydroxy-5-oxo-2-pentanyl]amino}-3-methyl-1-oxo-2-butany l]-2-pyridinecarboxamideCHEMBL191130 |
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N-[2-[[(1S)-5-amino-1-[4-[(6-methoxyquinoxalin-1-yl)amino]pentylcarbamoyl]pentyl]amino]-2-oxo-ethyl]-4-[4-[[(1S)-1-[[(1S,2S)-4-(butylamino)-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]phenoxy]benzamide |
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N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-yl-benzyloxymethyl)- 3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propyl}-2,4,6-trifluoro-benzamide |
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Nelfinavir
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Pepstatin a
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P-nitrobenzoyl-leucine-b-alanine
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P-nitrobenzoyl-leucine-isonipecotic acid
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Primaquine
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propyl (2S)-2-[[(2S)-2-[4-[4-[[(1S)-1-[[(1S,2S)-4-(butylamino)-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]phenoxy]anilino]-4-methyl-pentanoyl]amino]-6-(3,3-dimethylbutanoylamino)hexanoate |
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Purine
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Pyridine-2-carboxylic Acid ((S)-1-{(1S,2S)-1-(4-Benzo- [1,3]dioxol-5-yl-benzyloxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide |
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Pyridine-2-carboxylic Acid ((S)-1-{(1S,2S)-1-(biphenyl- 3-ylmethoxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methylbutylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide |
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Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-1-(4-Benzo- [1,3]dioxol-5-yl-benzyloxymethyl)-3-butylcarbamoyl-2- hydroxy-propylcarbamoyl]-2-methyl-propyl}-amide |
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Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-1-(Biphenyl- 4-ylmethoxymethyl)-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-amide
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Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-3-[(S)-1-((S)- 1-Carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]- 2-hydroxy-1-(4-thiophen-3-yl-benzyloxymethyl)-propylcarbamoyl]-2-methyl-propyl}-amide |
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Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-3-Butylcarbamoyl-2-hydroxy-1-(4-thiophen-3-yl-benzyloxymethyl)- propylcarbamoyl]-2-methyl-propyl}-amide
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Ritonavir
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Rnai, dsrna
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Ro 40-4388 |
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Saquinavir
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Sc-50083
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Statine
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Sucralfate
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Suggested target
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Tcmdc-134527
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Tcmdc-134674
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tert-Butyl((2R,3S)-4-([1,4'-bipiperidin]-1'-yl)-3-hydroxy-1-phenylbutan-2-yl)carbamate |
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X-ray structures and 3d models , suggested target
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ZINC02619047 |
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