Mesna (CED0004338)

Record Information

Version

1.0

Creation Date

2016-05-26 05:53:22 UTC

Update Date

2026-05-14 19:02:35 UTC

SynCED ID

CED0004338

Secondary Accession Numbers

CHEM035565

Identification

Common Name

Mesna

Class

Small Molecule

Description

Mesna is an organic compound with the chemical formula C2H6O3S2 and an average molecular weight of 142.20 g/mol. Mesna belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. The compound is found in or released from 12 recorded sources. Within the category of healthcare, pharmaceuticals, and veterinary products, it is associated with unclassified therapeutic products and cough and cold preparations. It is also found in food preservation within the food, food processing, and cookware sector. Other recorded sources include fencing in building and construction; pipe accessories, perfumes within detergents and soaps, and tobacco smoke filters in household cleaning and consumer products; as well as hybrid capacitors, emergency protective devices, electrodes, electric switches, and conductors or conductive bodies characterised by the conductive materials in electrical and electronic equipment. Recorded exposure routes for the compound include oral and intravenous administration.

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-THIOETHANEsulfonIC ACID	ChEBI
2-Mercaptoethanesulfonate	ChEBI
2-Mercaptoethanesulfonic acid	ChEBI
2-Mercaptoethanesulphonic acid	ChEBI
2-Mercaptoethylsulfonate	ChEBI
2-Sulfanylethylsulfonate	ChEBI
beta-Mercaptoethanesulfonic acid	ChEBI
Coenzima m	ChEBI
Coenzym m	ChEBI
CoM	ChEBI
HS-CoM	ChEBI
Mesna	ChEBI
Reduced coenzyme m	ChEBI
Reduced com	ChEBI
1-THIOETHANEsulfonate	Generator
1-THIOETHANEsulphonate	Generator
1-THIOETHANEsulphonic acid	Generator
2-Mercaptoethanesulphonate	Generator
2-Mercaptoethylsulfonic acid	Generator
2-Mercaptoethylsulphonate	Generator
2-Mercaptoethylsulphonic acid	Generator
2-Sulfanylethylsulfonic acid	Generator
2-Sulphanylethylsulphonate	Generator
2-Sulphanylethylsulphonic acid	Generator
b-Mercaptoethanesulfonate	Generator
b-Mercaptoethanesulfonic acid	Generator
b-Mercaptoethanesulphonate	Generator
b-Mercaptoethanesulphonic acid	Generator
beta-Mercaptoethanesulfonate	Generator
beta-Mercaptoethanesulphonate	Generator
beta-Mercaptoethanesulphonic acid	Generator
Β-mercaptoethanesulfonate	Generator
Β-mercaptoethanesulfonic acid	Generator
Β-mercaptoethanesulphonate	Generator
Β-mercaptoethanesulphonic acid	Generator
Coenzyme m	HMDB
2 Mercaptoethanesulfonate	MeSH, HMDB
ASTA D 7093	MeSH, HMDB
Kendrick brand OF mesna	MeSH, HMDB
Mistabron	MeSH, HMDB
Mistabronco	MeSH, HMDB
Sodium 2-mercaptoethanesulphonate	MeSH, HMDB
UCB brand OF mesna	MeSH, HMDB
Cell pharm brand OF mesna	MeSH, HMDB
ASTA-D 7093	MeSH, HMDB
ASTAD 7093	MeSH, HMDB
Bristol myers squibb brand OF mesna	MeSH, HMDB
MESNA-cell	MeSH, HMDB
Mucofluid	MeSH, HMDB
Sanfer brand OF mesna	MeSH, HMDB
Ziken	MeSH, HMDB
2-Mercaptoethanesulphonate, sodium	MeSH, HMDB
ASTA medica brand OF mesna	MeSH, HMDB
Mesna kendrick brand	MeSH, HMDB
Mesna sanfer brand	MeSH, HMDB
Mesnex	MeSH, HMDB
Mesnum	MeSH, HMDB
Mitexan	MeSH, HMDB
Bristol-myers squibb brand OF mesna	MeSH, HMDB
MESNA cell	MeSH, HMDB
Uromitexan	MeSH, HMDB

Chemical Formula

C₂H₆O₃S₂

Average Molecular Mass

142.197 g/mol

Monoisotopic Mass

141.976 g/mol

CAS Registry Number

3375-50-6

IUPAC Name

2-sulfanylethane-1-sulfonic acid

Traditional Name

HS-CoM

SMILES

OS(=O)(=O)CCS

InChI Identifier

InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)

InChI Key

ZNEWHQLOPFWXOF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Sub Class

Organosulfonic acids and derivatives

Direct Parent

Organosulfonic acids

Alternative Parents

Substituents

Alkanesulfonic acid
Sulfonyl
Organosulfonic acid
Alkylthiol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

thiol (CHEBI:17905 )
organosulfonic acid (CHEBI:17905 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

antioxidant (PMC13436460 , PMC13436460 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	12.7 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-0.4	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	-1.2	ChemAxon
pKa (Strongest Basic)	-9.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	54.37 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	29.13 m³·mol⁻¹	ChemAxon
Polarizability	12.54 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-00e9-7960000000-d0e9fc5f5629ba893d57	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-00e9-7960000000-d0e9fc5f5629ba893d57	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-052u-2900000000-51cd7c5f2497db0c7a15	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-004m-7970000000-a5c3c33a78b251bdd12c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-08i0-9100000000-17bded3f4e78114bc0d3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9400000000-f69174f630c88b6e6c0b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-1900000000-4ac0601c658b746cde74	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03kc-8900000000-0f9ced3911873030886c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03fr-9100000000-a5c85eeb5676f5fed8a5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001l-9600000000-b4d0e7498f823e6d5a04	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9400000000-bc6293ab20fc276566eb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9100000000-9f5c132d4e221797ce20	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0900000000-77503e1563f802f72b03	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9400000000-e948f4e89bfaaa610a8b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-82d53190c215e025c68b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-a6fb8cd4d3dc149be309	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001l-9700000000-765d7a0589d47fc8bb0d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-b4c0fc3315acedd6bf02	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2726.0 Log mg/kg [1500:4800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC8402515
CEDs000392	Cough and cold preparations?Cough and cold preparations often contain a variety of synthetic chemicals, including antihistamines, decongestants, and expectorants.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000409	Unclassified therapeutic products?Unclassified therapeutic products encompass a range of substances used in medical and veterinary contexts that have not undergone formal classification processes.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000496	Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.	Building & Construction	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000520	Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000562	Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000619	Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000732	Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.	Healthcare, pharmaceuticals & veterinary products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01148	Milk	Food, food processing & cookware	PMC13213790
CEDs02592	PM2.5	Air, dust & atmospheric transport	PMC12709572
CEDs02687	Cloud	Air, dust & atmospheric transport	PMC12709572

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium- and chloride-dependent taurine transporter	P31641	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.474 Statistical Significance 7.00e-05 Supporting Reference Compounds 2 E-value 0.544945
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.49761
Click to view 3D structure	Glutamyl aminopeptidase	Q07075	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.233 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 8 E-value 68.663
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	Q9D358	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.222 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 2 E-value 72.0105
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P41498	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.222 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 2 E-value 72.0105
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.294 Low confidence Statistical Significance 0.6422 Supporting Reference Compounds 372 E-value 4999.17
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.294 Low confidence Statistical Significance 0.7028 Supporting Reference Compounds 472 E-value 5471.09
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.294 Low confidence Statistical Significance 0.6503 Supporting Reference Compounds 407 E-value 5062.69
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.294 Low confidence Statistical Significance 0.5534 Supporting Reference Compounds 242 E-value 4308.25
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.294 Low confidence Statistical Significance 0.0478 Supporting Reference Compounds 43 E-value 372.197
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.294 Low confidence Statistical Significance 0.0478 Supporting Reference Compounds 41 E-value 371.964
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.294 Low confidence Statistical Significance 0.4222 Supporting Reference Compounds 151 E-value 3286.87
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.294 Low confidence Statistical Significance 0.5073 Supporting Reference Compounds 193 E-value 3949.45
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.222 Low confidence Statistical Significance 0.8438 Supporting Reference Compounds 269 E-value 6569.31
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.222 Low confidence Statistical Significance 0.7174 Supporting Reference Compounds 176 E-value 5584.98
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.294 Low confidence Statistical Significance 0.0403 Supporting Reference Compounds 22 E-value 313.421
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.233 Low confidence Statistical Significance 0.2744 Supporting Reference Compounds 40 E-value 2136.57
Click to view 3D structure	Angiotensin-converting enzyme	P47820	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.2 Low confidence Statistical Significance 0.377 Supporting Reference Compounds 24 E-value 2935.15
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.2 Low confidence Statistical Significance 0.3723 Supporting Reference Compounds 34 E-value 2898.64
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.167 Low confidence Statistical Significance 0.8103 Supporting Reference Compounds 172 E-value 6307.89
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.176 Low confidence Statistical Significance 0.1574 Supporting Reference Compounds 34 E-value 1225.5
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.195 Low confidence Statistical Significance 0.9676 Supporting Reference Compounds 400 E-value 7532.54
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.176 Low confidence Statistical Significance 0.2248 Supporting Reference Compounds 44 E-value 1750.05
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.167 Low confidence Statistical Significance 0.9366 Supporting Reference Compounds 332 E-value 7291.67
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.222 Low confidence Statistical Significance 0.9485 Supporting Reference Compounds 258 E-value 7384.39