Piperacillin (CED0001372)

Record Information
Version1.0
Creation Date2016-05-25 18:19:40 UTC
Update Date2026-08-22 01:00:05 UTC
SynCED IDCED0001372
Secondary Accession Numbers
  • CHEM022088
Identification
Common NamePiperacillin
ClassSmall Molecule
Description
Piperacillin is a compound with the chemical formula C23H27N5O7S. Piperacillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 517.55 g/mol, Piperacillin is a heavy molecule. The compound is found in or released from 11 recorded sources. These include healthcare, pharmaceuticals & veterinary products such as antibiotics and penicillins, and food, food processing & cookware, specifically processing meats. It is also associated with household cleaning & consumer products, including tobacco pipes, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Additionally, it is linked to electrical & electronic equipment, such as video games, television systems, electrically stimulated smoking devices, and electric hearing aids. Recorded exposure routes for the compound include oral, intravenous, intramuscular, inhalation, and parenteral administration. In terms of biological activity, Piperacillin interacts with four recorded protein targets. It acts as an inhibitor of serine-type D-Ala-D-Ala carboxypeptidase (pbp3) and targets penicillin-binding protein 1b (pbp1b), penicillin-binding protein 2a (pbp2a), and penicillin-binding protein 2B (penA).
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidChEBI
Piperacillin anhydrousChEBI
PIPCKegg
PeracinKegg
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateGenerator
AB piperacillinHMDB
Fresenius brand OF piperacillin sodiumHMDB
PipcilHMDB
Piperacillin freseniusHMDB
Piperacillin monosodium saltHMDB
Piperacillin sodiumHMDB
Piperacillin curasanHMDB
Sodium, piperacillinHMDB
Pipera hamelnHMDB
Piperacillin hexalHMDB
PipracilHMDB
Astrapin brand OF piperacillin sodiumHMDB
Hexal brand OF piperacillin sodiumHMDB
Monosodium salt, piperacillinHMDB
PipercillinHMDB
Salt, piperacillin monosodiumHMDB
Wyeth brand OF piperacillin sodiumHMDB
Curasan brand OF piperacillin sodiumHMDB
AB-piperacillinHMDB
AHP brand OF piperacillin sodiumHMDB
Lederle brand OF pipracillin sodiumHMDB
Pipera-hamelnHMDB
Piperacillin ratiopharmHMDB
Piperacillin-ratiopharmHMDB
PiprilHMDB
Ratiopharm brand OF piperacillin sodiumHMDB
Curasan, piperacillinHMDB
Chemical FormulaC23H27N5O7S
Average Molecular Mass517.555 g/mol
Monoisotopic Mass517.163 g/mol
CAS Registry Number66258-76-2
IUPAC Name(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Traditional Namepiperacillin
SMILES[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O
InChI IdentifierInChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
InChI KeyIVBHGBMCVLDMKU-GXNBUGAJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • Penicillin
  • N-acyl-alpha amino acid or derivatives
  • N-carbamoyl-alpha-amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Phenylacetamide
  • Piperazine-1-carboxamide
  • Dioxopiperazine
  • Penam
  • N-alkylpiperazine
  • Ureide
  • N-acyl urea
  • Benzenoid
  • Monocyclic benzene moiety
  • 1,4-diazinane
  • Piperazine
  • Beta-lactam
  • Dicarboximide
  • Thiazolidine
  • Tertiary carboxylic acid amide
  • Azetidine
  • Urea
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Lactam
  • Carbonic acid derivative
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Thioether
  • Hemithioaminal
  • Carboxylic acid
  • Dialkylthioether
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.12 g/LALOGPS
logP0.67ALOGPS
logP-0.26ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.49ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area156.43 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity126.3 m³·mol⁻¹ChemAxon
Polarizability51.77 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-1090000000-f466ec6964cefc2de8dfNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-5491120000-c007c1d461cd55d89ae8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0013090000-813104cd60a9ea3a3859Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0096000000-b0dafe2b22b2f860c497Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0191000000-59dd52b81e08a7665c9fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1590000000-b8040d8994155855d7d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ec-7940000000-d2ff9e1e0c9df03f7bd7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0094000000-2b4357e65d4f2c23da13Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udl-0890000000-1d19bc9caab1a3f5b623Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000f-0910000000-0c815f0f7a25577e636cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-70932882f6df40d54777Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-2bb7a0e3a556eadb090dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0900-2944030000-8a9f719c603883b5c9a1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08fu-2930000000-e6f8445bc618cee16335Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-5910000000-db843bdc17e32d413fb0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009200000-3986d4bbb9203e5cb14eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-2119400000-a710f78ecf09c22009f4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dm-9001000000-cbad9ca9227f864e2d2dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0504090000-c0a3d0752174d7f20d46Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01sl-1937510000-8c1f827dc2a6ab0481dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00l6-2901100000-aab7f79d6ea92015c63dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-015i-0609140000-503714e67c3f5e51a392Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-2904110000-aeb6a7bb580ff398bfb5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9710100000-63cce25700a92a152520Not AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6051.0 Log mg/kg [3400:11000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructureNot Available
CEDs000233Brushes?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 & cosmeticsNot Available
CEDs000306Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000340Penicillins?Penicillins are a group of β-lactam antibiotics derived from Penicillium fungi, widely used to treat bacterial infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentNot Available
CEDs000518Electrically 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 EquipmentNot Available
CEDs000524Hybrid 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 EquipmentNot Available
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentNot Available
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentNot Available
CEDs000545Food 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 & cookwareNot Available
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwareNot Available
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsNot Available
CEDs000559Non 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 productsNot Available
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsNot Available
CEDs000561Perfumes 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 productsNot Available
CEDs000563Soap 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 productsNot Available
CEDs000566Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.Household cleaning & consumer productsNot Available
CEDs000569Tobacco 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 productsNot Available
CEDs000580Manufacture 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 processingNot Available
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000610Aftersun 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 & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000614Essential 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 & cosmeticsNot Available
CEDs000615Eye 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 & cosmeticsNot Available
CEDs000617Lip 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 & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsNot Available
CEDs000650Purses 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 & furnishingsNot Available
CEDs000662Yarns 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 & furnishingsNot Available
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospaceNot Available
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospaceNot Available
CEDs000678Nitrogenous 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 managementNot Available
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementNot Available
CEDs000684Cements?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 & ConstructionNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingNot Available
CEDs000734Coating 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 & ConstructionNot Available
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000743Sludge 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 & biosolidsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
1 pathwayPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureOrganic anion transporter 3Q8TCC7HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
20
E-value
18.6838
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.241 Low confidence
Statistical Significance
0.2731
Supporting Reference Compounds
400
E-value
2126.14
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0808
Supporting Reference Compounds
72
E-value
628.788
Proteasome subunit beta type-8 structureClick to view 3D structureProteasome subunit beta type-8P28062HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.242 Low confidence
Statistical Significance
0.058
Supporting Reference Compounds
38
E-value
451.681
Plasmepsin III structureClick to view 3D structurePlasmepsin IIIQ9Y006Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.229 Low confidence
Statistical Significance
0.003
Supporting Reference Compounds
1
E-value
23.3548
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.247 Low confidence
Statistical Significance
0.079
Supporting Reference Compounds
46
E-value
615.398
PER-2 beta-lactamase structureClick to view 3D structurePER-2 beta-lactamaseA2RP81Citrobacter freundiiPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
6
E-value
0.0778492
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.537
Statistical Significance
0.0258
Supporting Reference Compounds
425
E-value
200.851
Click to view 3D structureBeta-lactamase ACC-4A4ZYU9Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.405
Statistical Significance
7.00e-05
Supporting Reference Compounds
2
E-value
0.544945
Baculoviral IAP repeat-containing protein 2 structureClick to view 3D structureBaculoviral IAP repeat-containing protein 2Q13490HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0025
Supporting Reference Compounds
19
E-value
19.8516
Baculoviral IAP repeat-containing protein 8 structureClick to view 3D structureBaculoviral IAP repeat-containing protein 8Q96P09HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
4
E-value
11.8331
E3 ubiquitin-protein ligase XIAP structureClick to view 3D structureE3 ubiquitin-protein ligase XIAPP98170HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0078
Supporting Reference Compounds
36
E-value
60.7224
Click to view 3D structureProcathepsin LP07154Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.349
Statistical Significance
0.0054
Supporting Reference Compounds
10
E-value
41.8829
Click to view 3D structureEfflux transporterQ3S5C3Salmonella newportPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.405
Statistical Significance
7.00e-05
Supporting Reference Compounds
3
E-value
0.544945
Click to view 3D structureClass C beta-lactamase CMY-36Q48435Klebsiella pneumoniaePredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.405
Statistical Significance
7.00e-05
Supporting Reference Compounds
3
E-value
0.544945
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.537
Statistical Significance
0.0247
Supporting Reference Compounds
104
E-value
192.521
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00811Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.368
Statistical Significance
1.00e-03
Supporting Reference Compounds
35
E-value
7.78492
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.258 Low confidence
Statistical Significance
0.0712
Supporting Reference Compounds
129
E-value
554.364
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.247 Low confidence
Statistical Significance
0.0468
Supporting Reference Compounds
38
E-value
364.724
Protease structureClick to view 3D structureProteaseQ82134Human T-cell leukemia virus type IPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.284 Low confidence
Statistical Significance
0.0073
Supporting Reference Compounds
3
E-value
56.7521
Baculoviral IAP repeat-containing protein 3 structureClick to view 3D structureBaculoviral IAP repeat-containing protein 3Q13489HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.276 Low confidence
Statistical Significance
0.0051
Supporting Reference Compounds
13
E-value
39.4696
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.258 Low confidence
Statistical Significance
0.1021
Supporting Reference Compounds
141
E-value
794.763
Click to view 3D structureProteaseQ82323Human T-lymphotropic virus 1Predicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.284 Low confidence
Statistical Significance
0.0082
Supporting Reference Compounds
3
E-value
63.7585
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.247 Low confidence
Statistical Significance
0.0475
Supporting Reference Compounds
26
E-value
370.017
Click to view 3D structureSolute carrier family 22 member 6Q4U2R8HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0063
Supporting Reference Compounds
26
E-value
48.8893
Concentrations
Not Available
External Links
DrugBank IDDB00319
HMDB IDHMDB0014464
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPiperacillin
Chemspider ID39798
ChEBI ID8232
PubChem Compound ID43672
Kegg Compound IDC14034
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available