BRENDA - Reference to 3.4.22.69; Id = 717101

SARS-CoV Mpro in complex with Cm-FF-H, Ac-ESTLQ-H, Ac-DSFDQ-H, Ac-NSTSQ-H, Ac-NSFSQ-H, or Ac-ESTLQ-H, sitting drop vapor diffusion method, using 8% (w/v) PEG 6000, 0.1 M MES (pH 6.0), 3% (v/v) 2-methyl-2,4-pentanediol, and 3% (v/v) DMSO, at 20°C

SARS coronavirus

N-acetyl-DSFDQ

micromolar inhibitor

SARS coronavirus

N-acetyl-ESTLQ

micromolar inhibitor

SARS coronavirus

N-acetyl-NSFSQ

micromolar inhibitor

SARS coronavirus

N-acetyl-NSTSQ

micromolar inhibitor

SARS coronavirus

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide

-

SARS coronavirus

0.0245

-

Dabcyl-KTSAVLQSGFRKME-EDANS-amide

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

P0C6U8

-

Dabcyl-KTSAVLQSGFRKME-EDANS-amide + H2O

-

717101

SARS coronavirus

Dabcyl-KTSAVLQ + SGFRKME-EDANS-amide

-

?

additional information

no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA

717101

SARS coronavirus

?

-

additional information

the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position

717101

SARS coronavirus

?

-

SWTSAVAQSGFRKWA + H2O

less than 10% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVAQ + SGFRKWA

-

?

SWTSAVCQSGFRKWA + H2O

less than 1% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVCQ + SGFRKWA

-

?

SWTSAVFQSGFRKWA + H2O

about 70% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVFQ + SGFRKWA

-

?

SWTSAVHQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVHQ + SGFRKWA

-

?

SWTSAVIQSGFRKWA + H2O

about 45% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVIQ + SGFRKWA

-

?

SWTSAVLQSGFRKWA + H2O

100% activity

717101

SARS coronavirus

SWTSAVLQ + SGFRKWA

-

?

SWTSAVMQSGFRKWA + H2O

about 58% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVMQ + SGFRKWA

-

?

SWTSAVNQSGFRKWA + H2O

less than 1% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVNQ + SGFRKWA

-

?

SWTSAVPQSGFRKWA + H2O

about 10% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVPQ + SGFRKWA

-

?

SWTSAVQQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVQQ + SGFRKWA

-

?

SWTSAVSQSGFRKWA + H2O

less than 1% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVSQ + SGFRKWA

-

?

SWTSAVTQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVTQ + SGFRKWA

-

?

SWTSAVVQSGFRKWA + H2O

about 55% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVVQ + SGFRKWA

-

?

SWTSAVWQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVWQ + SGFRKWA

-

?

SWTSAVYQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVYQ + SGFRKWA

-

?

SARS coronavirus main protease

-

SARS coronavirus

SARS-CoV Mpro

-

SARS coronavirus

0.00224

-

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.00827

-

N-acetyl-ESTLQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.04098

-

N-acetyl-NSFSQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.04124

-

N-acetyl-DSFDQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.07273

-

N-acetyl-NSTSQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

SARS-CoV Mpro in complex with Cm-FF-H, Ac-ESTLQ-H, Ac-DSFDQ-H, Ac-NSTSQ-H, Ac-NSFSQ-H, or Ac-ESTLQ-H, sitting drop vapor diffusion method, using 8% (w/v) PEG 6000, 0.1 M MES (pH 6.0), 3% (v/v) 2-methyl-2,4-pentanediol, and 3% (v/v) DMSO, at 20°C

SARS coronavirus

N-acetyl-DSFDQ

micromolar inhibitor

SARS coronavirus

N-acetyl-ESTLQ

micromolar inhibitor

SARS coronavirus

N-acetyl-NSFSQ

micromolar inhibitor

SARS coronavirus

N-acetyl-NSTSQ

micromolar inhibitor

SARS coronavirus

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide

-

SARS coronavirus

0.00224

-

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.00827

-

N-acetyl-ESTLQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.04098

-

N-acetyl-NSFSQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.04124

-

N-acetyl-DSFDQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.07273

-

N-acetyl-NSTSQ

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

0.0245

-

Dabcyl-KTSAVLQSGFRKME-EDANS-amide

in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication

SARS coronavirus

Dabcyl-KTSAVLQSGFRKME-EDANS-amide + H2O

-

717101

SARS coronavirus

Dabcyl-KTSAVLQ + SGFRKME-EDANS-amide

-

?

additional information

no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA

717101

SARS coronavirus

?

-

additional information

the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position

717101

SARS coronavirus

?

-

SWTSAVAQSGFRKWA + H2O

less than 10% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVAQ + SGFRKWA

-

?

SWTSAVCQSGFRKWA + H2O

less than 1% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVCQ + SGFRKWA

-

?

SWTSAVFQSGFRKWA + H2O

about 70% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVFQ + SGFRKWA

-

?

SWTSAVHQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVHQ + SGFRKWA

-

?

SWTSAVIQSGFRKWA + H2O

about 45% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVIQ + SGFRKWA

-

?

SWTSAVLQSGFRKWA + H2O

100% activity

717101

SARS coronavirus

SWTSAVLQ + SGFRKWA

-

?

SWTSAVMQSGFRKWA + H2O

about 58% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVMQ + SGFRKWA

-

?

SWTSAVNQSGFRKWA + H2O

less than 1% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVNQ + SGFRKWA

-

?

SWTSAVPQSGFRKWA + H2O

about 10% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVPQ + SGFRKWA

-

?

SWTSAVQQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVQQ + SGFRKWA

-

?

SWTSAVSQSGFRKWA + H2O

less than 1% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVSQ + SGFRKWA

-

?

SWTSAVTQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVTQ + SGFRKWA

-

?

SWTSAVVQSGFRKWA + H2O

about 55% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVVQ + SGFRKWA

-

?

SWTSAVWQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVWQ + SGFRKWA

-

?

SWTSAVYQSGFRKWA + H2O

less than 5% activity compared to SWTSAVLQSGFRKWA

717101

SARS coronavirus

SWTSAVYQ + SGFRKWA

-

?

752729

Krichel

Processing of the SARS-CoV pp ...

SARS coronavirus

Biochem. J.

477

1009-1019

2020

-

1

-

4

-

2

-

1

-

1

-

2

-

1

-

752975

Yoshizawa

Evaluation of an octahydroiso ...

SARS coronavirus

Bioorg. Med. Chem.

28

115273

2020

-

8

-

1

-

1

-

1

-

7

-

7

8

-

1

-

753268

Morse

Learning from the Past Possib ...

SARS coronavirus

ChemBioChem

21

730-738

2020

-

5

-

1

-

2

-

5

-

5

-

1

-

753527

Chen

Prediction of the SARS-CoV-2 ...

Severe acute respiratory syndrome coronavirus 2

F1000Res.

9

129

2020

-

1

-

3

-

2

-

754293

Jo

Inhibition of SARS-CoV 3CL pr ...

SARS coronavirus

J. Enzyme Inhib. Med. Chem.

35

145-151

2020

-

1

-

3

-

2

-

1

-

1

-

2

-

3

-

1

-

3

-

1

-

1

-

754405

Dong

A guideline for homology mode ...

Severe acute respiratory syndrome coronavirus 2

J. Med. Virol.

FEHLT

0000

2020

-

7

-

3

-

1

-

754752

Ton

Rapid identification of poten ...

Severe acute respiratory syndrome coronavirus 2

Mol. Inform.

FEHLT

0000

2020

-

3

-

2

-

1

-

755546

Zhang

Crystal structure of SARS-CoV ...

SARS coronavirus, Severe acute respiratory syndrome coronavirus 2

Science

FEHLT

0000

2020

-

1

-

2

-

2

-

4

-

2

-

1

-

2

-

4

-

752974

Ohnishi

Evaluation of a non-prime sit ...

SARS coronavirus

Bioorg. Med. Chem.

27

425-435

2019

-

2

-

1

-

1

-

2

-

2

-

1

-

753344

Rahman

Lead molecule prediction and ...

Middle East respiratory syndrome-related coronavirus

Curr. Comput. Aided Drug Des.

15

82-88

2019

-

2

-

1

-

2

-

753538

Zhou

Identification of novel prote ...

porcine epidemic diarrhea virus

FASEB J.

33

14575-14587

2019

-

4

-

6

-

1

-

4

-

755284

Lim

Structurally- and dynamically ...

SARS coronavirus

Prog. Biophys. Mol. Biol.

143

52-66

2019

-

2

-

4

-

1

-

2

-

1

-

755639

Perera

Characterization of amino aci ...

feline coronavirus

Vet. Microbiol.

237

108398

2019

-

6

-

2

-

5

-

1

-

2

1

-

1

-

6

-

2

-

1

-

1

-

1

-

755651

Kanitz

Structural basis for catalysi ...

Alphamesonivirus 1

Virology

533

21-33

2019

-

1

-

1

-

1

-

1

-

1

-

1

-

1

-

1

-

752992

Konno

Synthesis and evaluation of p ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

27

2746-2751

2017

-

1

-

3

-

1

-

3

-

1

-

3

-

753488

Wang

Discovery of unsymmetrical ar ...

SARS coronavirus

Eur. J. Med. Chem.

137

450-461

2017

-

2

-

2

-

2

-

2

-

753022

Teruya

Structural basis for the deve ...

SARS coronavirus

Biopolymers

106

391-403

2016

-

1

-

2

-

1

-

1

-

1

-

2

-

1

-

1

-

2

-

1

-

755253

Muramatsu

SARS-CoV 3CL protease cleaves ...

SARS coronavirus

Proc. Natl. Acad. Sci. USA

113

12997-13002

2016

-

1

-

3

1

-

2

-

1

-

1

-

3

-

1

-

3

1

-

1

-

1

-

1

-

755419

Li

Conformational flexibility of ...

SARS coronavirus

Sci. Rep.

6

20918

2016

-

1

-

2

-

2

-

2

-

1

-

2

-

1

-

2

-

2

-

1

-

2

-

752951

Shimamoto

Fused-ring structure of decah ...

SARS coronavirus

Bioorg. Med. Chem.

23

876-890

2015

-

1

-

12

-

1

-

2

-

1

-

11

-

1

-

11

12

-

2

-

731320

Paasche

Evidence for substrate binding ...

SARS coronavirus

Biochemistry

53

5930-5946

2014

-

1

-

1

-

2

-

1

-

3

-

1

-

1

-

1

-

2

-

731060

Wu

Mechanism for controlling the ...

SARS coronavirus

Acta Crystallogr. Sect. D

69

747-755

2013

-

1

-

1

-

2

-

1

-

3

2

7

-

1

-

1

-

1

-

1

-

3

2

-

1

-

731443

Turlington

Discovery of N-(benzo[1,2,3]tr ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

23

6172-6177

2013

-

1

-

44

-

2

-

2

-

1

-

31

-

1

-

31

44

1

-

731748

Thanigaimalai

Design, synthesis, and biologi ...

SARS coronavirus

Eur. J. Med. Chem.

65

436-447

2013

-

45

-

1

-

1

-

1

-

34

-

14

-

14

45

34

-

1

-

731749

Thanigaimalai

Development of potent dipeptid ...

SARS coronavirus

Eur. J. Med. Chem.

68

372-384

2013

-

23

-

1

-

3

-

21

-

3

-

3

23

21

-

731790

Muramatsu

Autoprocessing mechanism of se ...

SARS coronavirus

FEBS J.

280

2002-2013

2013

1

-

3

-

1

-

3

-

1

-

1

7

1

-

1

-

3

-

1

-

1

-

1

-

1

-

717101

Zhu

Peptide aldehyde inhibitors ch ...

SARS coronavirus

Antiviral Res.

92

204-212

2011

-

1

-

5

1

-

2

-

18

-

2

-

5

-

1

-

5

1

-

18

-

717343

Nguyen

Virtual screening identificati ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

21

3088-3091

2011

-

7

-

1

-

1

-

2

-

7

-

7

-

1

-

717978

Akaji

Structure-based design, synthe ...

SARS coronavirus

J. Med. Chem.

54

7962-7973

2011

-

1

-

15

-

1

-

1

-

1

-

3

-

13

-

1

-

13

15

-

1

-

1

-

707696

Ryu

SARS-CoV 3CLpro inhibitory eff ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

20

1873-1876

2010

-

6

-

2

-

1

-

1

-

1

-

4

-

6

-

6

4

-

1

-

1

-

707708

Ramajayam

Synthesis, docking studies, an ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

20

3569-3572

2010

-

14

-

1

-

1

-

1

-

14

-

14

-

1

-

707753

Cheng

Mutation of Glu-166 blocks the ...

SARS coronavirus

Biophys. J.

98

1327-1336

2010

-

1

-

5

-

2

-

2

-

1

-

1

-

4

-

1

-

5

-

2

-

1

-

1

-

4

-

2

709130

Li

Maturation mechanism of severe ...

SARS coronavirus

J. Biol. Chem.

285

28134-28140

2010

-

1

-

1

-

1

-

1

2

-

1

-

1

-

1

-

1

-

3

717244

Barrila

Mutation of Asn28 disrupts the ...

SARS coronavirus

Biochemistry

49

4308-4317

2010

-

1

-

2

-

1

-

6

-

1

-

1

2

-

1

-

1

-

2

-

1

-

1

-

1

-

2

717308

Okamoto

Increase of SARS-CoV 3CL pepti ...

SARS coronavirus

Biol. Chem.

391

1461-1468

2010

3

-

1

-

13

-

1

3

-

1

-

9

-

2

-

13

1

-

3

-

1

-

13

-

1

-

1

-

9

-

13

1

-

13

717450

Ahn

-

Synthesis and evaluation of be ...

SARS coronavirus

Bull. Korean Chem. Soc.

31

87-91

2010

-

10

-

1

-

1

-

1

-

3

-

10

-

10

-

1

-

1

-

718259

Chuck

Profiling of substrate specifi ...

SARS coronavirus

PLoS ONE

5

e13197

2010

-

1

-

10

-

2

-

10

-

691480

Phakthanakanok

A computational analysis of SA ...

SARS coronavirus

BMC Bioinformatics

10 Suppl 1

S48

2009

-

2

-

4

-

3

-

4

-

692371

Kuo

Individual and common inhibito ...

SARS coronavirus

FEBS Lett.

583

549-555

2009

-

9

-

1

-

1

-

1

-

9

-

9

-

1

-

693255

Lee

Structural basis of inhibition ...

SARS coronavirus

J. Biol. Chem.

284

7646-7655

2009

-

1

-

9

-

1

-

1

-

2

1

3

-

8

-

1

-

1

-

9

8

-

1

-

2

1

-

1

-

695025

Zhong

C-terminal domain of SARS-CoV ...

SARS coronavirus

Protein Sci.

18

839-844

2009

-

1

-

2

-

1

-

1

-

707665

Regnier

New developments for the desig ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

19

2722-2727

2009

-

15

-

1

-

1

-

2

-

15

-

15

-

1

-

707798

Luo

Anti-SARS coronavirus 3C-like ...

SARS coronavirus

Biosci. Trends

3

124-126

2009

-

1

-

2

-

5

-

1

-

2

-

3

-

1

-

1

-

1

2

-

1

-

2

-

707802

Kuo

Engineering a novel endopeptid ...

SARS coronavirus

Biotechniques

47

1029-1032

2009

-

1

-

2

-

4

-

1

-

1

-

1

-

16

-

3

-

4

-

1

-

2

-

4

-

1

-

1

-

16

-

4

-

1

-

710675

Hu

Two adjacent mutations on the ...

SARS coronavirus Tor2

Virology

388

324-334

2009

-

1

2

-

2

-

1

-

1

2

-

1

-

1

2

-

1

-

1

-

1

-

678335

Solowiej

Steady-state and pre-steady-st ...

SARS coronavirus

Biochemistry

47

2617-2630

2008

-

5

-

1

-

5

-

1

-

5

-

5

-

5

-

5

-

678619

Niu

Molecular docking identifies t ...

SARS coronavirus

Bioorg. Med. Chem.

16

293-302

2008

-

13

-

2

-

12

-

12

13

-

680920

Chen

Mutation of Gly-11 on the dime ...

Alphacoronavirus

J. Biol. Chem.

283

554-564

2008

-

1

-

2

-

1

-

1

-

3

-

1

-

1

-

1

-

1

-

690620

Lin

Correlation between dissociati ...

SARS coronavirus

Arch. Biochem. Biophys.

472

34-42

2008

-

1

-

12

-

15

-

2

-

1

-

1

2

1

-

20

-

1

-

12

-

15

-

1

-

1

2

-

20

-

691200

Zhang

Aryl methylene ketones and flu ...

SARS coronavirus

Bioorg. Chem.

36

229-240

2008

-

1

-

9

-

1

-

1

-

2

-

1

-

4

-

1

-

4

9

-

1

-

2

-

691218

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Structure-based virtual screen ...

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Bioorg. Med. Chem.

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2008

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691222

Shao

Design, synthesis, and evaluat ...

SARS coronavirus

Bioorg. Med. Chem.

16

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2008

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7

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1

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691242

Akaji

Evaluation of peptide-aldehyde ...

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2008

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1

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1

4

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691304

Ghosh

Design, synthesis and antivira ...

SARS coronavirus

Bioorg. Med. Chem. Lett.

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2008

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10

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691735

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Development of broad-spectrum ...

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Chem. Biol. Drug Des.

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2008

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5

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691768

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Design and synthesis of cinans ...

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2008

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693700

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QM/QM studies for Michael reac ...

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2008

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Without its N-finger, the main ...

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2008

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Biochemistry

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678690

Ghosh

Structure-based design, synthe ...

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7

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Reversible unfolding of the se ...

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Structure-based design and syn ...

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Chembiochem

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Specific plant terpenoids and ...

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2007

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Crystal structures reveal an i ...

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682785

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Insight into the activity of S ...

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Graziano

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SARS coronavirus

Biochemistry

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Binding interaction of quercet ...

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Stable benzotriazole esters as ...

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Quaternary structure, substrat ...

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Only one protomer is active in ...

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Synthesis, crystal structure, ...

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Structure-based drug design an ...

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5154-5161

2006

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1

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21

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Rapid peptide-based screening ...

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Structure of the SARS coronavi ...

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Old drugs as lead compounds fo ...

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Bioorg. Med. Chem.

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Biosynthesis, purification, an ...

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1

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6

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12

2

1

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6

1

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1

-

6

-

1

-

12

2

-

1

6

1

-

Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease

Data extracted from this reference: