3.4.21.113: pestivirus NS3 polyprotein peptidase

This is an abbreviated version!
For detailed information about pestivirus NS3 polyprotein peptidase, go to the full flat file.

Word Map on EC 3.4.21.113

3.4.21.113

polyproteins

dengue

cytopathogenic

bluetongue

ns4a

ntpase

flaviviruses

flaviviridae

horsesickness

pestiviruses

drug development

medicine

Reaction

Leu is conserved at position P1 for all four cleavage sites. Alanine is found at position P1' of the NS4A-NS4B cleavage site, whereas serine is found at position P1' of the NS3-NS4A, NS4B-NS5A and NS5A-NS5B cleavage sites =

Synonyms

border disease virus NS3 endopeptidase, BVD NS3 endopeptidase, BVDV NS3 endopeptidase, classical swine fever virus NS3 endopeptidase, CSFV NS3, CSFV NS3 endopeptidase, flavivirus NS3 protease, nonstructural protein 3, nonstructural protein NS3, NS2B/NS3 protease, NS3, NS3 protease, NS3 protein, NS3 proteinase, NS3 serine protease, NS3-4A protease, NS3-SP, NS3prohelx, P80pestivirus P80 protein, pestivirus NS3 protease, S31.001, viral diarrhea virus endopeptidase, WNV NS2B/NS3

ECTree

3.4 Acting on peptide bonds (peptidases)

3.4.21 Serine endopeptidases

3.4.21.113 pestivirus NS3 polyprotein peptidase

Advanced search results

Do not include text mining results

Include

results (more...)

Include

results (more...)

Results	in table
3	Activating Compound
7	AA Sequence
3	Application
1	CAS Registry Number
6	Cloned(Commentary)
1	Cofactor
4	Crystallization (Commentary)
14	General Information
13	IC50 Value
58	Inhibitors
47	Ki Value [mM]
14	Natural Substrates/ Products (Substrates)
21	Organism
22	PDB ID
1	pH Optimum
3	Posttranslational Modification
16	Protein Variants
5	Purification (Commentary)
1	Reaction
2	Reaction Type
21	Reference
22	Substrates and Products (Substrate)
1	Subunits
42	Synonyms

Inhibitors

print visible entries

print all entries

Go back to the abbreviated version
of the Enzyme Summary Page.

Inhibitors on EC 3.4.21.113 - pestivirus NS3 polyprotein peptidase

Please wait a moment until all data is loaded. This message will disappear when all data is loaded.

back to the top

Go to Inhibitor Search

(1S,5R)-6,6-dichloro-3-[cyclohexyl[[[(1,1-dimethylethyl)amino]carbonyl]amino]acetyl]-N-[1-[1,2-dioxo-2-(2-propenylamino)ethyl]butyl]-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide

-

-

(2-[3-[(12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo-[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carbonyl)amino]-2-oxohexanoylamino]acetylamino)phenylacetic acid

-

-

(2-[3-[(12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo-[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carbonyl)amino]-2-oxohexanoylamino]acetylamino)phenylacetic acid tert-butyl ester

-

-

(2-[3-[(12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,-13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carbonyl)amino]-2-oxohexanoylamino]acetylamino)phenylacetic acid tert-butyl ester

-

-

1,1-dimethylethyl [1(S)-[[(1R,5S)-2(S)-[[[1-(cyclopropylmethyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]-amino]-2-oxoethyl]amino]-2,3-dioxopropyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-2,2-dimethylpropyl]carbamate

-

SCH446211, potent ketoamide inhibitor. Has low oral bioavailability in rats and monkeys, but its subcutaneous pharmacokinetic profile is remarkable, with high AUC and 100% bioavailability in both species

1,1-dimethylethyl [1(S)-[[(1R,5S)-2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]-4,4,4-trifluorobutyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-2,2-dimethylpropyl]carbamate

-

-

1,1-dimethylethyl [1(S)-[[(1R,5S)-2-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo-[3.1.0]hexan-3-yl]carbonyl]-2,2-dimethylpropyl]carbamate

-

-

1,1-dimethylethyl [1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[1,2-dioxo-2-(2-propenylamino) ethyl]butyl]-amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

-

-

1,1-dimethylethyl [2-[(1S,5R)-2(S)-[[[1-(2-amino-1,2-dioxoethyl)butyl]amino]carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]-carbamate

-

-

1,1-dimethylethyl[1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]-butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

-

-

1,3,4-tri-O-galloyl-beta-D-glucose

-

polyphenol compound from Saxifraga melanocentra

1,3,6-tri-O-galloyl-beta-D-glucose

-

polyphenol compound from Terminalia chebula

1-O-(3-O-galloylgalloyl)-2,3,4-tri-O-galloyl-beta-D-glucose

-

polyphenol compound from Saxifraga melanocentra

11-cyclohexyl-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(18),15(19),16-triene-8-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)aminooxalyl)-butyl)amide

-

-

12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(cyanophenylmethyl)carbamoyl]methyl)aminooxalyl)butyl)-amide

-

-

12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)aminooxalyl)butyl)amide

-

very potent inhibitor, S-isomer and R-isomer

12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid (([1-(2-hydroxy-1-phenylethylcarbamoyl)methyl]aminooxalyl)butyl)-amide

-

-

12-cyclohexyl-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo-[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)aminooxalyl)butyl)amide

-

-

12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]-methyl)aminooxalyl)butyl)amide

-

-

12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid (1-allylaminooxalylbutyl)amide

-

97% orally bioavailable

12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid (1-aminooxalylbutyl)amide

-

-

12-cyclohexyl-6,6,11,14-tetraoxo-2-oxa-6lambda6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)-aminooxalyl)butyl)amide

-

-

12-indan-2-yl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)aminooxalyl)butyl)amide

-

-

12-isopropyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]-methyl)aminooxalyl)butyl)amide

-

-

12-sec-butyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]-methyl)aminooxalyl)butyl)amide

-

-

12-tert-butyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)aminooxalyl)butyl)amide

-

-

12-tert-butyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)-aminooxalyl)butyl)amide

-

-

2,2,2-trifluoro-1,1-dimethylethyl[2-[(1S,5R)-2(S)-[[[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino]-carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]carbamate

-

-

2-methylpropyl [1(S)-cyclohexyl-2-[2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-2-oxoethyl]carbamate

-

-

2-methylpropyl [1(S)-[[(3aR,6aR)-4(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]amino]carbonyl]hexahydro-2,2-dimethyl-5H-furo[2,3-c]pyrrol-5-yl]carbonyl]-2,2-dimethylpropyl]carbamate

-

-

2-methylpropyl [1(S)-[[(3aR,6aS)-1(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]amino]carbonyl]hexahydro-5,5-dimethylcyclopenta[c]pyrrol-2(1H)-yl]carbonyl]-2,2-dimethylpropyl]carbamate

-

-

2-methylpropyl [1-cyclohexyl-2-[2-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-4(S)-[(1,1-dimethylethyl)thio]-1-pyrrolidinyl]-2-oxoethyl]carbamate

-

-

2-methylpropyl [1-cyclohexyl-2-[3(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-6,10-dithia-2-azaspiro[4.5]-decan-2-yl]-2-oxoethyl]carbamate

-

-

2-O-(4-O-galloylgalloyl)-1,3,4-tri-O-galloyl-beta-D-glucose

-

polyphenol compound from Rhodiola kirilowii

3,3'-digalloylprocyanidin B2

-

nonpeptide inhibitor of NS3-SP from Rhodiola kirilowii. Methylation and acylation of hydroxyl groups cause a decrease of activity

3,3'-digalloylproprodelphinidin B2

-

nonpeptide inhibitor of NS3-SP from Rhodiola kirilowii. Methylation and acylation of hydroxyl groups cause a decrease of activity

3,6-di-O-galloyl-beta-D-glucose

-

polyphenol compound from Saxifraga melanocentra

3-[2-(3-tert-butyl-ureido)-2-indan-2-yl-acetyl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide

-

-

3-[2-(3-tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide

-

-

4-phenylphenacetyl-L-Lys-L-Lys-agmatine

West Nile virus

-

competitive inhibitor

5,5-dimethyl-11,14-dioxo-12-phenyl-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]-methyl)aminooxalyl)butyl)amide

-

-

5-cyclohexyl-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]-docosa-1(21),17,19-triene-8-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]methyl)aminooxalyl)butyl)-amide

-

-

6,6-dichloro-3-[2-cyclohexyl-2-(3-cyclohexyl-ureido)-acetyl]-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide

-

-

6-benzenesulfonyl-12-cyclohexyl-11,14-dioxo-2-oxa-6,10,13-triazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxylic acid ((([1-(dimethylcarbamoylphenylmethyl)carbamoyl]-methyl)aminooxalyl)butyl)amide

-

-

epicatechin-3-O-gallate

-

nonpeptide inhibitor of NS3-SP from Rhodiola kirilowii. Methylation and acylation of hydroxyl groups cause a decrease of activity

epigallocatechin-3-O-gallate

-

nonpeptide inhibitor of NS3-SP from Rhodiola kirilowii. Methylation and acylation of hydroxyl groups cause a decrease of activity

N-acetyl-L-Lys-L-Lys-agmatine

West Nile virus

-

-

N-[(2-methylpropoxy)carbonyl]-(S)-tert-leucyl-N-[1(S)-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]-4(R)-methyl-(S)-prolinamide

-

-

N-[(2-methylpropoxy)carbonyl]-(S)-tert-leucyl-n-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]butyl]-4(R)-(1,1-dimethylethoxy)-(S)-prolinamide

-

-

N-[(2-methylpropoxy)carbonyl]cyclohexylglucyl-N-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]prolinamide

-

-

N-[(2S)-6-amino-1-[(3S)-3-(carbamimidamidomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]-N2-(biphenyl-4-ylacetyl)-L-lysinamide

West Nile virus

-

-

N2-(biphenyl-4-ylacetyl)-L-lysyl-N-[(2E)-4-carbamimidamidobut-2-en-1-yl]-L-lysinamide

West Nile virus

-

-

tert-butyl [(1S)-1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-1-([4-cyclopropyl-1-[([[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]methyl)amino]-3-oxobutyl]carbamoyl)-3-azabicyclo[3.1.0]hex-3-yl]-2-oxoethyl]carbamate

-

-

[1-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester

-

is the most promising of all inhibitors. Is more potent than SCH 503034. It has excellent potency in both enzyme and replicon assays. Demonstrates good overall pharmacokinetic profile with bioavailability above 10% in rat, monkey, and dog

[2-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hex-3-yl]-1-indan-2-yl-2-oxo-ethyl]-carbamic acid tert-butyl ester

-

-

additional information

show

-

Use of this online version of BRENDA is free under the CC BY 4.0 license. See terms of use for full details.

Release 2023.1 (January 2023)