Literature summary for 3.4.21.91 extracted from

Balajee, R.; Srinivasadesikan, V.; Sakthivadivel, M.; Gunasekaran, P.
In silico screening, alanine mutation, and DFT approaches for identification of NS2B/NS3 protease inhibitors (2016), Biochem. Res. Int., 2016, 7264080 .

Search for more literature for 3.4.21.91

Inhibitors

Inhibitors	Comment	Organism
(1'R,2R,4'S,6S,8'R,10'E,12'S,14'E,16'E,21'R)-6-[(2S)-butan-2-yl]-12'-[[(2R,4S,5R,6R)-5-[[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy]-4,6-dihydroxytetrahydro-2H-pyran-2-yl]oxy]-21',24'-dihydroxy-11',22'-dimethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one	-	Dengue virus type 2
(2aE,4E,5'S,6S,6'S,7S,8E,11R,13S,15S,17aS,20Z,20aR)-6'-cyclohexyl-20b-hydroxy-5',6,8,11,19-pentamethyl-20-(methylimino)-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine	-	Dengue virus type 2
1-(3-[[2-(1H-benzimidazol-2-yl)hydrazinyl]methyl]-4-hydroxy-5-[(E)-[2-(3H-indol-2-yl)hydrazinylidene]methyl]phenyl)butane-1,2-dione	-	Dengue virus type 2
1-[(4-[2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl)sulfonyl]piperidine	-	Dengue virus type 2
1-[5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl]-2-[1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-yl]ethanone	-	Dengue virus type 2
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one	-	Dengue virus type 2
2-[(E)-[2-(3-bromophenyl)hydrazinylidene]methyl]-N'-[(1E)-2-phenylethylidene]quinoline-4-carbohydrazide	-	Dengue virus type 2
2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-benzothiazol-3(2H)-one	-	Dengue virus type 2
3-[(8-benzoyl-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid	-	Dengue virus type 2
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-[2-(piperidin-1-yl)ethyl]benzamide	-	Dengue virus type 2
4-[3-acetyl-5-(2-phenylquinolin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]benzoic acid	-	Dengue virus type 2
4-[[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino]butanoic acid	-	Dengue virus type 2
7-[(1,3-benzothiazol-2-ylamino)(2-hydroxyphenyl)methyl]quinolin-8-ol	-	Dengue virus type 2
7-[(1,3-benzothiazol-2-ylamino)(phenyl)methyl]quinolin-8-ol	-	Dengue virus type 2
7-[(3-hydroxyphenyl)(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol	-	Dengue virus type 2
7-[1-(methylamino)ethyl]quinolin-8-ol	-	Dengue virus type 2
cyclo-[L-Pro-L-Phe-L-Leu-L-Lys-Gly-L-Val-L-Tyr-L-Glu-L-Asp-L-Phe-L-Phe-Gly]	-	Dengue virus type 2
diphenyl [2-(4-aminophenyl)-1-[[(benzyloxy)carbonyl]amino]ethyl]phosphonate	-	Dengue virus type 2
additional information	in silico screening, alanine mutation, and density functional theory approaches for identification of NS2B/NS3 protease inhibitors, using molecular docking, free energy calculations, and simulation protocols in computational inhibitor screening, determination of ligand binding affinitites and protein interactions, overview	Dengue virus type 2
N'-(2-ethylhexyl)-N'-(6-[N'-[N-(3-methylheptan-2-yl)carbamimidoyl]carbamimidamido]hexyl)imidodicarbonimidic diamide (non-preferred name)	-	Dengue virus type 2
N-benzyl-N,N-dimethyl-2-[2-[4-(2,2,3-trimethylpentan-3-yl)phenoxy]ethoxy]ethanaminium	-	Dengue virus type 2

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
membrane	integral membrane protein	Dengue virus type 2	16020	-

Organism

Organism	UniProt	Comment	Textmining
Dengue virus type 2	-	-	-

Subunits

Subunits	Comment	Organism
heterodimer	the biologically active viral protease of NS2B/NS3 complex is termed as heterodimeric	Dengue virus type 2

Synonyms

Synonyms	Comment	Organism
NS2B/NS3 complex	-	Dengue virus type 2
NS2B/NS3 protease	-	Dengue virus type 2

General Information

General Information	Comment	Organism
physiological function	the complex of NS2B and NS3 (NS2B/NS3) in the serine protease enzyme is essential for viral replication	Dengue virus type 2