(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
|
|
(2s,3s)-3-amino-2-hydroxy-4-phenylbutyric acid in
|
|
(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
|
|
(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
|
|
(5s,6r)-3-aza-3-benzyl-5-hydroxy-7-phenyl-6- [(picolyl-l-valinyl)amino]-heptanoyl amide |
|
(6aR, 12aS)-12a-Hydroxy-9-methoxy-2,3-dimethylenedioxy-8-prenylrotenone
|
|
(S)-2-((4-chlorophenyl)((1-((2,5-dichlorophenyl)sulfonyl)piperidin-4-yl)oxy)methyl)pyridine |
|
(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. |
|
[amino({5-phenyl-3-[(E)-2-phenylethenyl]- 4,5-dihydro-1H-pyrazol-1-yl})methylidene]azanium |
|
1-(4-amidinophenyl)-3-(4-phenoxyphenyl)urea
|
|
1-(4-phenylphenyl)-2[2-(pyridinyl-2-yl)-1,3-benzdiazol-1-yl]ethanone |
|
1,2-dihydroxyethylene
|
|
1,2-dihydroxyethylene based compounds
|
|
1,2-diphenylhydrazine
|
|
1,2-dipyridinylhydrazine
|
|
1,3,4-oxadiazole
|
|
1-[2-methoxy-5-[(1E)-3-phenylbuta-1,3-dienyl]phenyl]sulfonylpyridine |
|
1-[2-methoxy-5-[(1E)-3-phenylbuta-1,3-dienyl]phenyl]sulfonylpyrrolidine |
|
11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene tricycle |
|
13- and 16-membred macrocycles
|
|
2,2-diphenyl acetohydrazide
|
|
2,3,4,7-tetrahydro-1h-azepine
|
|
2-Amino-3-(((2S*,5R*)-5-isopropyltetrahydrofuran-2-yl)methyl)-7- phenylquinazolin-4(3H)-one |
|
2-Amino-7-(4-phenethylbenzyl)-3-((tetrahydrofuran-2-yl)methyl)quinazolin-4(3H)-one |
|
2-Amino-7-phenyl-3-(((2R,5S)-5-phenyltetrahydrofuran-2-yl)methyl)quinazolin- 4(3H)-one |
|
2-Amino-7-phenyl-3-(((2S*,5R*)-5-phenyltetrahydrofuran-2- yl)methyl)quinazolin-4(3H)-one |
|
2-methoxy benzohydrazide
|
|
2-nitro benzohydrazide
|
|
2-tert-Butyloxycarbonylamino-7-benzyloxy-4- oxaheptanoic acid |
|
3-(7-(4-(4l3-butyl)phenyl)-2-amino-4-oxo-3-((tetrahydrofuran-2-yl)methyl)-3,4-dihydroquinazolin-5-yl)propanoic acid |
|
4(s)-amino-3(s)-hydroxy-5-phenylpentanoic acid
|
|
4-[2-methoxy-5-[(1E)-3-phenylbuta-1,3-dienyl]phenyl]sulfonylmorpholine |
|
4-aminopiperidine
|
|
7,8-dihydroxy-3-(4-nitrobenzoyl)-2-(4-nitrophenyl)chromen-4-one |
|
7-azabicyclo[2.2.1]heptane
|
|
Acridinyl hydrazides |
|
Acylals |
|
Albitiazolium
|
|
Alkoxyurea |
|
Alln
|
|
Allophenylnorstatine
|
|
Allophenylnorstatine
|
|
Allophenylnorstatine wapns
|
|
AMD3100
|
|
Amides
|
|
Aminohydantoin
|
|
aminopiperidine
|
|
Artemisinin
|
|
Artesunate
|
|
Atazanavir
|
|
Atovaquone
|
|
Aza-peptide
|
|
Bicyclic amine
|
|
bisbenzylisoquinoline
|
|
Bisindolylmaleimide ii
|
|
Bisindolylmaleimide iii
|
|
Bisindolylmaleimide x
|
|
Bis-trifluoromethyl
|
|
C(2)-symmetric compounds with a mannitol-based scaffold with either benzyloxy or allyloxy p1/p1' side chains |
|
C2-symmetric core structure |
|
Catestatin
|
|
CHEMBL113208
|
|
CHEMBL264770
|
|
CHEMBL325768
|
|
Diacylhydrazine
|
|
diamine-clamp inhibitors |
|
Dihydroartemisinin
|
|
Diphenylurea
|
|
Doxorubicin
|
|
E-64
|
|
E-64d
|
|
Ethylene diamine
|
|
Extracts from xestospongia muta and plexaura homomalla |
|
FA12
|
|
FA21
|
|
Fingolimod
|
|
Fisetin
|
|
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 |
|
Fragment-based docking and consensus scoring, halofantrine, doxorubicin, lumefantrine |
|
G16
|
|
Guanidino
|
|
Halofantrine
|
|
Hydroxyethylamine
|
|
Hydroxylethylamine
|
|
Indinavir
|
|
Kni-10006
|
|
Kni-10232
|
|
Kni-10343
|
|
Kni-10395
|
|
Kni-10740
|
|
Kni-10823
|
|
Knipholone
|
|
Leupeptin
|
|
Ligand based virtual screening, mdg419, mdg421, mdg422, mdg425, mdg426, mdg427, mdg430, mdg432 |
|
Lk1
|
|
Lk2
|
|
Lk3
|
|
L-Lysinamide, N-[4-[4-[[[(1S,2S)-1-[[[(1S,2S)-4-(butylamino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]amino]carbonyl]-2-methylbutyl]amino]carbonyl]phenoxy]benzoyl]-L-leucyl-L-leucyl-N-[2-[[[[3-[trans-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydro-1,4-dioxo-2-naphthalenyl]oxy]carbonyl]amino]ethyl]-N6-[(1,1-dimethylethoxy)carbonyl]- |
|
L-Lysinamide, N-[4-[4-[[[(1S,2S)-1-[[[(1S,2S)-4-(butylamino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]amino]carbonyl]-2-methylbutyl]amino]carbonyl]phenoxy]benzoyl]-L-leucyl-N-[2-[[[[3-[trans-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydro-1,4-dioxo-2-naphthalenyl]oxy]carbonyl]amino]ethyl]-N6-[(1,1-dimethylethoxy)carbonyl]- |
|
L-Lysine, N-[4-[4-[[[(1S,2S)-1-[[[(1S,2S)-4-(butylamino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]amino]carbonyl]-2-methylbutyl]amino]carbonyl]phenoxy]benzoyl]-L-leucyl-N6-[(1,1-dimethylethoxy)carbonyl]-, propyl ester |
|
Lopinavir
|
|
Lumefantrine
|
|
Myricetin
|
|
N-(3–{(2-benzo[1, 3]dioxol-5-yl-ethyl)[3-(1-methyl-3-oxo-1,3-dihydro-isoindol-2-yl) propionyl]-amino}-1-benzyl-2-(hydroxyl-propyl)-4-benzyloxy-3,5dimethoxy-benzamide
|
|
N-(3-chlorophenyl)-2-sulfamoylbenzamide |
|
N,N' -Bis(2-methyl benzimidazolyl) pentane diamideLcucl(2) |
|
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) |
|
N,N-Diethyl-2-(5-((4′-methoxy-[1,1′-biphenyl]-4-yl)methyl)-1- (4-pentylphenyl)-1H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride |
|
N,N-Diethyl-2-(5-((4′-methoxy-[1,1′-biphenyl]-4-yl)methyl)-1-pentylphenyl)-1H-1,2,3-triazol-4-yl)ethan-1-amine(4-pentylphenyl)-1H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride |
|
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 |
|
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 |
|
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 |
|
N-[[4-[4-[3-(benzylamino)-3-oxo-propyl]phenyl]phenyl]methyl]-N-[2-(dibutylamino)ethyl]-4-pentyl-benzamide;methanol |
|
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 |
|
N-[4-[[2-(dibutylamino)ethyl-(4-pentylbenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide;methanol
|
|
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 |
|
N1-((2S,3R)-3-hydroxy-4-((2-(3-methoxyphenyl)propan-2-yl)amino)-1-phenylbutan-2-yl)-5-(piperidin-1-yl)-N3,N3-dipropylisophthalamide
|
|
N-acetyl-l-leucyl-l-leucyl-norleucinal
|
|
N-alkoxyamidines
|
|
N-alkyl chains |
|
natural compound inhibitors |
|
N-benzyl-2-methoxy-5-[(1E)-3-phenylbuta-1,3-dienyl]benzenesulfonamide |
|
Nelfinavir
|
|
Norstatines
|
|
OXO 2
|
|
OXO 3
|
|
Pepstatin a
|
|
Phenoxyacetyl
|
|
Piperaquine
|
|
Piperidine scaffold
|
|
Primaquine
|
|
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 |
|
Purine
|
|
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 |
|
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 |
|
Pyridine-2-carboxylic Acid ((S)-1-{(1S,2S)-1-(Biphenyl- 4-ylmethoxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methylbutylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide |
|
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 |
|
Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-1-(Biphenyl- 4-ylmethoxymethyl)-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-amide
|
|
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 |
|
Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-3-Butylcarbamoyl-2-hydroxy-1-(4-thiophen-3-yl-benzyloxymethyl)- propylcarbamoyl]-2-methyl-propyl}-amide
|
|
Remiszewski_013 |
|
Ritonavir
|
|
Rnai, dsrna
|
|
Ro 40-4388 |
|
Saquinavir
|
|
Statine
|
|
Sti-571
|
|
Suggested target
|
|
Sulfonamide 4-metychalcone
|
|
Tcmdc-134527
|
|
Tcmdc-134674
|
|
Teriary amine
|
|
tert-butyl ((S)-1-(((2S,3S)-4-(4-((2S,3R)-3-((S)-2-((tert-butoxycarbonyl)amino)-4-methylpentanamido)-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate |
|
tert-Butyl((2R,3S)-4-([1,4'-bipiperidin]-1'-yl)-3-hydroxy-1-phenylbutan-2-yl)carbamate |
|
Tetrahydro-4-((E)-7-hydroxy-10-methoxy-6, 14-dimethyl-15-m-tolylpentadec-13-enyl) pyran-2- one |
|
Tetraoxane
|
|
Thioacylals
|
|
Thiourea
|
|
Urea
|
|
WR099444 |
|
WR099445 |
|
WR100080 |
|
WR100081 |
|
WR100392 |
|
WR100400 |
|
WR100484 |
|
WR101653 |
|
WR103412 |
|
X-ray of enzyme with non-peptidomimetic and achiral inhibitor |
|
X-ray structures and 3d models , suggested target
|
|
ZINC03351002 |
|