Dimercaprol (CED0007727)

Record Information

Version

1.0

Creation Date

2016-05-22 04:27:17 UTC

Update Date

2026-08-22 13:50:44 UTC

SynCED ID

CED0007727

Secondary Accession Numbers

CHEM017545

Identification

Common Name

Dimercaprol

Class

Small Molecule

Description

Dimercaprol is an organosulfur compound with the chemical formula C3H8OS2 and an average molecular weight of 124.22 g/mol. Dimercaprol belongs to the alkylthiols, a subclass of thiols within the organic compounds. This compound is found in or released from 18 recorded sources. These include healthcare, pharmaceuticals & veterinary products via unclassified therapeutic products, as well as food, food processing & cookware, specifically in the processing of meats, the preparation of vinegar, food preservation, and fermentation processes for beer. It is also associated with household cleaning & consumer products, including soap detergents, perfumes within detergents and soaps, bleaching agents, tobacco product cases, and non electric simulated smoking devices. Additionally, it is found in electrical & electronic equipment, such as electrodes, electric switches, antennas, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices, among two others. The recorded exposure route for dimercaprol is intramuscular. Regarding its health effects, the compound is used as a treatment for renal failure (PMC13116634 ) and has been associated with hypertension (PMC5716161 ).

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,2-Dimercapto-3-propanol	ChEBI
1,2-Dithioglycerol	ChEBI
2,3-Dimercapto-1-propanol	ChEBI
2,3-Dimercaptol-1-propanol	ChEBI
2,3-Dimercaptopropanol	ChEBI
2,3-Dithiopropanol	ChEBI
2,3-Mercaptopropan-1-ol	ChEBI
2,3-Mercaptopropanol	ChEBI
3-Hydroxy-1,2-propanedithiol	ChEBI
alpha,beta-Dithioglycerol	ChEBI
BAL	ChEBI
British anti-lewisite	ChEBI
British antilewisite	ChEBI
Dimercaprolum	ChEBI
Dimercaptopropanol	ChEBI
Dithioglycerine	ChEBI
Dithioglycerol	ChEBI
Sulfactin	ChEBI
a,b-Dithioglycerol	Generator
Α,β-dithioglycerol	Generator
Sulphactin	Generator
2,3-Dimercapro	HMDB
2,3 Dithiopropan 1 O1	HMDB
2,3-Dimercaptopropanol, cadmium	HMDB
Cadmium 2,3-dimercaptopropanol	HMDB
Taylor brand OF dimercaprol	HMDB
2,3 Dimercaptopropanol	HMDB
Anti-lewisite agent, british	HMDB
British anti lewisite agent	HMDB
British anti-lewisite agent	HMDB
Knoll brand OF dimercaprol	HMDB
BAL in oil	HMDB
British anti lewisite	HMDB
Cadmium 2,3 dimercaptopropanol	HMDB
Dicaptol	HMDB
2,3-Dithiopropan-1-O1	HMDB
Anti-lewisite, british	HMDB
B.A.L.	HMDB
In oil, bal	HMDB
Oil, bal in	HMDB

Chemical Formula

C₃H₈OS₂

Average Molecular Mass

124.225 g/mol

Monoisotopic Mass

124.002 g/mol

CAS Registry Number

59-52-9

IUPAC Name

2,3-disulfanylpropan-1-ol

Traditional Name

dimercaprol

SMILES

OCC(S)CS

InChI Identifier

InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2

InChI Key

WQABCVAJNWAXTE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.

Kingdom

Organic compounds

Super Class

Organosulfur compounds

Class

Thiols

Sub Class

Alkylthiols

Direct Parent

Alkylthiols

Alternative Parents

Substituents

Alkylthiol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

primary alcohol (CHEBI:64198 )
dithiol (CHEBI:64198 )
a small molecule (23-DIMERCAPTOPROPAN-1-OL )

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

antidote (PMC6113772 , PMC9807406 )?
chelator (PMC12817343 , PMC7191230 )?

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	2.76 g/L	ALOGPS
logP	0.58	ALOGPS
logP	0.21	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	9.58	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	32.91 m³·mol⁻¹	ChemAxon
Polarizability	12.88 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0006-9000000000-02d345f6932e4df7ae4c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00ds-9600000000-5c06a4ce37d095db5a1c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-2900000000-5e1d01085e00977775ac	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a6u-7900000000-2010199887988b9b1f5e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-9100000000-e15a808f41fdd35de8fe	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-008i-9300000000-b6482fcdaeab876341d3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0acc-9200000000-f38fb9fba80629c643ff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a5c-9000000000-975b939359caaed4e935	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0adl-7900000000-9b2eced4f80479d4220b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0596-9000000000-dfbf45f840944602d259	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-9000000000-f9a12c59d4f73bb8e6e3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0900000000-b6d4cfef7736df5ca9d2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001l-9000000000-12de67a14d053353befb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000x-9000000000-72344935882f89d86e04	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C 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
553.0 Log mg/kg [310:980]	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
hypertension	Associated With?	Not Available	A disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)	PMC5716161
renal failure	Not Available	Not Available	A disorder characterized by the loss of kidney function.	PMC13116634
allergic disease	Associated With?	increase	Allergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.	PMC12817343
brain disease	Not Available	Not Available	Not Available	PMC13116634 , PMC13116634
mercury poisoning	Not Available	Not Available	Not Available	PMC5813329

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
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
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
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	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
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	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
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
CEDs000529	Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.	Electrical & Electronic Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	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
CEDs000548	Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.	Food, food processing & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	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
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000567	Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.	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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	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
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	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
CEDs000612	Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.	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
CEDs000616	Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	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
CEDs000631	Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.	Textiles, leather & furnishings	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	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
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
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	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
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	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
CEDs000689	Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.	Building & Construction	PubChem
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	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
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
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	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
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

Pathways

1 pathwayPathway Source: PathBank

Dimercaprol Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 1.0 Statistical Significance 4.00e-04 Supporting Reference Compounds 26 E-value 3.11397
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 1.0 Statistical Significance 0.0287 Supporting Reference Compounds 146 E-value 223.505
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.217 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 2 E-value 10.5875
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 1.80e-04 Supporting Reference Compounds 1 E-value 1.40129
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.222 Low confidence Statistical Significance 0.1122 Supporting Reference Compounds 40 E-value 873.702
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.222 Low confidence Statistical Significance 0.1771 Supporting Reference Compounds 42 E-value 1379.1
Click to view 3D structure	Carboxypeptidase M	P14384	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.3539
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.162 Low confidence Statistical Significance 0.6431 Supporting Reference Compounds 51 E-value 5006.72
Click to view 3D structure	Neprilysin	P07861	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.162 Low confidence Statistical Significance 0.4904 Supporting Reference Compounds 38 E-value 3817.49
Click to view 3D structure	Angiotensin-converting enzyme	P12822	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.158 Low confidence Statistical Significance 0.4821 Supporting Reference Compounds 26 E-value 3753.42
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.208 Low confidence Statistical Significance 0.1638 Supporting Reference Compounds 8 E-value 1275.33
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.158 Low confidence Statistical Significance 0.6635 Supporting Reference Compounds 46 E-value 5165.45
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.158 Low confidence Statistical Significance 0.5034 Supporting Reference Compounds 34 E-value 3919.32
Click to view 3D structure	Carboxypeptidase A1	P00730	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.194 Low confidence Statistical Significance 0.3061 Supporting Reference Compounds 9 E-value 2383.04
Click to view 3D structure	Angiotensin-converting enzyme	P47820	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.158 Low confidence Statistical Significance 0.668 Supporting Reference Compounds 24 E-value 5200.72
Click to view 3D structure	Glutamyl aminopeptidase	Q07075	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.222 Low confidence Statistical Significance 0.081 Supporting Reference Compounds 8 E-value 630.423
Click to view 3D structure	Endothelin-converting enzyme 1	P42892	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.158 Low confidence Statistical Significance 0.7683 Supporting Reference Compounds 31 E-value 5981.39
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.158 Low confidence Statistical Significance 0.0214 Supporting Reference Compounds 2 E-value 166.831
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.154 Low confidence Statistical Significance 0.0204 Supporting Reference Compounds 21 E-value 159.202
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.154 Low confidence Statistical Significance 0.3622 Supporting Reference Compounds 30 E-value 2819.54
Click to view 3D structure	Uncharacterized protein	I3LIR5	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.161 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 2 E-value 10.3539
Click to view 3D structure	Neprilysin	P19621	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.158 Low confidence Statistical Significance 0.3534 Supporting Reference Compounds 4 E-value 2751.5
Click to view 3D structure	Carboxypeptidase B2	Q96IY4	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.162 Low confidence Statistical Significance 0.6019 Supporting Reference Compounds 16 E-value 4685.67
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.161 Low confidence Statistical Significance 0.2082 Supporting Reference Compounds 18 E-value 1620.98
Click to view 3D structure	GIM-1 protein	Q704V1	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.135 Low confidence Statistical Significance 0.2605 Supporting Reference Compounds 2 E-value 2027.89