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Natural

General

Substrates or inhibitors found in nature. Toxins are harmful substances produced within living cells or organisms
Inhibitor Main targeted enzyme families Type Structure
5-Deoxystrigol RsbQ-like Plant hormone Strigolactone Strigolactone receptors ligand Natural Inden
Fasciculin2 ACHE Fasciculin2 variant Natural_modified Natural Peptide Sulfur Compound
SMTP-44D Epoxide_hydrolase Natural Indole Stachybotrys microspora triprenyl phenol
Cy3diG5G LYsophospholipase_carboxylesterase Anthocyanin Flavonoid Glycoside Natural
AKBA Monoglyceridelipase_lysophospholip Terpenoid Natural
Magnolol Carb_B_Chordata Natural Lignan Not AlphaBeta Hydrolase target
Macelignan Carb_B_Chordata Natural Lignan Not AlphaBeta Hydrolase target
Schisandrin-C Carb_B_Chordata Natural Lignan Not AlphaBeta Hydrolase target
Neo-212 Carbamate Imidazole Natural_modified Terpenoid Azabicyclo Drug Pro-Drug
Octacosanol Pancreatic_lipase Analogue of substrate Product-like inhibitor Natural
Rosmanol ACHE BCHE Natural Phenanthrene
Corydaline ACHE Alkaloid Natural Quinoline
Theobromine Purine Alkaloid Natural Not AlphaBeta Hydrolase target
Verbascoside S9N_PPCE_Peptidase_S9 Natural Hydroxycinnamic-ester Alkaloid Glycoside
trans-2-icosenoic acid ACHE Fatty acid Natural
Galantamine-benzylpyridine-C2 ACHE BCHE Derivative of Galanthamine Alkaloid Natural_modified Alkyl linked bis-ligand Piperidine Pyridine Benzazepin Azepane
Silybin Pancreatic_lipase Natural Polyphenol Benzodioxin Antioxidant
Emodin Natural Pyridine Acridine Not AlphaBeta Hydrolase target
LQ-38 Epoxide_hydrolase Terpenoid Urea derivative Glycoside Natural_modified
Licochalcone-C Carb_B_Chordata Natural
Alizarin Pancreatic_lipase Natural Chromen Dye
Sulphostin DPP4N_Peptidase_S9 Natural Sulfur Compound Organophosphate Piperidine
Cryptotanshinone Monoglyceridelipase_lysophospholip Benzofuran Natural Tanshinone
Farnesol Fungal_carboxylesterase_lipase Bacterial_lip_FamI.6 Natural
Homocysteine-thiolactone ACHE Natural Sulfur Compound Not AlphaBeta Hydrolase target Thiophen
Morin Pancreatic_lipase Flavonoid Chromen Natural Antioxidant
Petroselenic-acid Bacterial_lip_FamI.6 Fatty acid Natural
Zaxinone RsbQ-like Natural Strigolactone receptors ligand
Embelin Multitarget Not AlphaBeta Hydrolase target Natural
Diethoxyphosphoryloxy-oleanolic-acid BCHE Indole Natural_modified
Tabersonine Plant_carboxylesterase Indole Alkaloid Natural
Catharanthine Plant_carboxylesterase Indole Alkaloid Natural
Diallyl-sulphide ACHE Natural Sulfur Compound
Diallyl-disulfide ACHE Natural Sulfur Compound
Diallyl-trisulfide ACHE Natural Sulfur Compound Antioxidant
beta-Cyclocitral ACHE Natural
BysspectinA-cpd20wderivative Carb_B_Chordata Natural_modified Benzofuran
O-Methyl-Dauracine DPP4N_Peptidase_S9 Alkaloid Natural Quinoline
Wedelolactone Epoxide_hydrolase Natural Benzofuran Chromen
Benzyloxy-benzylamino-Carltonine-Cpd28 BCHE Natural_modified
Benzyloxy-benzylamino-Carltonine-Cpd33 BCHE Natural_modified
Carltonine-A BCHE Alkaloid Natural
Carltonine-B BCHE Alkaloid Natural
XB8-8CGO BCHE Alkaloid Natural_modified
ILAPPER DPP4N_Peptidase_S9 Natural Peptide
Lycocasuarine-C ACHE Derivative of Huperzine Natural
Lycocasuarinine-D ACHE Derivative of Huperzine Natural
N-demethylhuperzinine BCHE ACHE Derivative of Huperzine Natural
Caffeic-acid-phenethyl-ester BCHE ACHE Canar_LipB Hydroxycinnamic-ester Acrylate Not AlphaBeta Hydrolase target Natural
Cinchonidine BCHE Natural Alkaloid Derivative of Cinchonine Quinoline Azabicyclo
Cinchonine BCHE Natural Alkaloid Derivative of Cinchonine Quinoline Azabicyclo
CD-Bzl BCHE Alkaloid Derivative of Cinchonine Quinoline Natural_modified
Ginkgetin Carb_B_Chordata Natural Flavonoid Chromen
Cynaroside Lipoprotein_Lipase Glycoside Natural Flavonoid Chromen Antioxidant
Cotinine Pectinacetylesterase-Notum Derivative of Nicotine Pyrrolidine Natural Alkaloid Drug Nicotinic agonist Not AlphaBeta Hydrolase target
Piperine Pectinacetylesterase-Notum Fragment inhibitor of Notum Piperidine Natural Benzodioxo
Kurarinone Carb_B_Chordata Natural Flavonoid Chromen
Rosmarinic-acid AlphaBeta_hydrolase Natural Hydroxycinnamic-ester
Emetine Hydrolase_RBBP9_YdeN Natural Alkaloid Drug Isoquinoline Quinoline Quinolizine
Tetracyclic-triterpene-1 ACHE Terpenoid Natural_modified
Tetracyclic-triterpene-36e ACHE Terpenoid Natural_modified anti-Abeta-aggregation Sulfur Compound
Hypaphorine ACHE Not AlphaBeta Hydrolase target Natural Derivative of Tryptophan Indole Propionate
Evodiamine BCHE Derivative of Evodiamine Natural beta-carboline Not AlphaBeta Hydrolase target Multitarget
Chelerythrine ACHE Natural Alkaloid Not AlphaBeta Hydrolase target Benzodioxo Phenanthridinium
Sanguinarine ACHE Natural Alkaloid Not AlphaBeta Hydrolase target Benzodioxo Phenanthridinium
Columbamine ACHE Natural Alkaloid Not AlphaBeta Hydrolase target Isoquinoline
Palmatine ACHE Natural Alkaloid Not AlphaBeta Hydrolase target Isoquinoline
Berberine ACHE BCHE Natural Alkaloid Not AlphaBeta Hydrolase target Isoquinoline Benzodioxo Antioxidant
Coelenteramide Haloalkane_dehalogenase-HLD2 Natural Luciferin
Mycophenolic-acid MpaH Natural Benzofuran
5-deoxo-3-hydroxyevodiamine-heptyl-carbamate BCHE Carbamate Natural_modified Derivative of Evodiamine
Tetracyclic-carbamate-cp8 BCHE PET probe Carbamate Natural_modified Derivative of Evodiamine Isoquinoline Quinazoline
Tetracyclic-carbamate-melatonine-3c BCHE Carbamate Natural_modified Derivative of Evodiamine Isoquinoline Quinazoline Derivative of Tryptamine Indole Alkyl linked bis-ligand
Tetracyclic-carbamate-ferulicacid-4a BCHE Carbamate Natural_modified Derivative of Evodiamine Isoquinoline Quinazoline Feruloyl Antioxidant Alkyl linked bis-ligand
Tetracyclic-carbamate-UW-MD-95 BCHE Carbamate Natural_modified Derivative of Evodiamine Isoquinoline Quinazoline
Harmine Natural Alkaloid Indole beta-carboline Not AlphaBeta Hydrolase target
Epicatechin-gallate Arylacetamide_deacetylase Derivative of Gallate Natural Polyphenol Benzoate Chromen
Epigallocatechin-gallate Arylacetamide_deacetylase Derivative of Gallate Benzoate Natural Polyphenol Chromen Antioxidant
Pentagalloylglucose Pancreatic_lipase Derivative of Gallate Natural Polyphenol
Caffeine Pectinacetylesterase-Notum Lipase_3 Purine Alkaloid Natural Drug Not AlphaBeta Hydrolase target
Goodyschle-A BCHE Natural
18-carboxymethoxy-cleaviminium Plant_carboxylesterase Natural Alkaloid
Vibralactone Pancreatic_lipase Natural Lactone Lipase inhibitor
Tryptamine ACHE Derivative of Tryptamine Indole Natural
N-acetylserotonin Pectinacetylesterase-Notum Derivative of Tryptamine Indole Not AlphaBeta Hydrolase target Natural
Melatonin Pectinacetylesterase-Notum Derivative of Tryptamine Indole Not AlphaBeta Hydrolase target Natural Antioxidant
Theophylline Pectinacetylesterase-Notum Alkaloid Natural Purine Not AlphaBeta Hydrolase target
Myricetin Fungal-Bact_LIP Natural Flavonoid Chromen
Taxifolin ACHE Natural Flavonoid Carbonic anhydrase inhibitor Multitarget Chromen
Quercetin Fungal-Bact_LIP Natural Flavonoid Chromen
Baicalein Carb_B_Chordata Natural Flavonoid Chromen Antioxidant
Oroxylin-A Carb_B_Chordata Natural Flavonoid Chromen
Kaempferol Fungal-Bact_LIP Natural Flavonoid Chromen
Galangin Fungal-Bact_LIP Pancreatic_lipase Natural Flavonoid Chromen
Glabridin Carb_B_Chordata Natural Flavonoid Chromen
Nevadensin Carb_B_Chordata Natural Terpenoid Chromen
Betulinic-acid Carb_B_Chordata ABHD12-PHARC Natural Terpenoid
Canadine ACHE BCHE Cholinesterase Natural Alkaloid
Thalictricavine ACHE BCHE Cholinesterase Natural Alkaloid
Debromoflustramine-B BCHE Natural Pyrrolidine Indole Derivative of physostigmine-eserine
Tetracyclic-carbamate-photoswitch-azo BCHE Carbamate Natural_modified Derivative of Evodiamine Isoquinoline Quinazoline Photoswitch
Palmitoleic-acid Pectinacetylesterase-Notum Natural Fatty acid
Myristoleic-acid Pectinacetylesterase-Notum Natural Fatty acid Oleate
ZGR Zearalenone-hydrolase Zearalenone-hydrolase-fam2 Natural Toxin Mycotoxin-metabolite
ZFR Zearalenone-hydrolase Natural Toxin Mycotoxin-metabolite
Octanoate AlphaBeta_hydrolase Pectinacetylesterase-Notum Natural Fatty acid Octanoate
Hydroxy-D-ring RsbQ-like Plant_carboxylesterase Butenolide Plant hormone Strigolactone receptors ligand Strigolactone Natural
Spermine S9N_PREPL_Peptidase_S9 Natural
Spermidine CarbLipBact_2 Natural
Tiratricol CFTR-inhibitory-factor_Cif Natural Drug Thyroid hormone analogue
MMU Epoxide_hydrolase Natural Urea derivative
1,3-Dibenzylurea Epoxide_hydrolase Natural Urea derivative
N-piperidinopropylgalanthamine ACHE Derivative of Galanthamine Alkaloid Natural_modified Alkyl linked bis-ligand Piperidine Benzazepin Azepane
N-saccharinohexylgalanthamine ACHE Derivative of Galanthamine Alkaloid Natural_modified Alkyl linked bis-ligand Sulfur Compound Benzazepin Azepane
Tanshinone-IIA Carb_B_Chordata Benzofuran Natural Tanshinone
Polyozellin S9N_PPCE_Peptidase_S9 Natural
LASSBio-767 ACHE Natural Derivative of Spectaline Piperidine
LASSBio-822 ACHE Natural Derivative of Spectaline Piperidine tert-Butyl
3-hydroxyoctanoate Hydroxynitrile_lyase Fatty acid Natural
2-Tridecanone Hydroxynitrile_lyase Natural Ketone
Decanoate Hydroxynitrile_lyase Lipase_3 Pectinacetylesterase-Notum Natural Fatty acid
Undecanoic-acid ABHD6-Lip Natural Fatty acid
Myristic-acid Pectinacetylesterase-Notum Natural Fatty acid Tetradecanoate
Laurate Lipase_3 Pectinacetylesterase-Notum Natural Fatty acid Dodecanoate Stearate Water-insoluble medium and long chain ester
Palmitate Homoserine_transacetylase Carb_B_Chordata Palmitoyl-protein_thioesterase Lipase_3 Tiancimycin-TnmK-Tripeptidase-HIP PGAP1 Natural Fatty acid Hexadecanoate Palmitate
Taurodeoxycholate Pancreatic_lipase Natural Steroid Detergent Sulfur Compound Surfactant Phenanthrene
Geranylphenazinediol ACHE Natural Phenazine
Crystal-Violet BCHE ACHE Natural Dye Triarylmethane
Leupeptin S9N_PREPL_Peptidase_S9 Peptide Natural
Salicylic-acid Hydroxynitrile_lyase Natural Salicylic
Maslinic-acid ABHD12-PHARC Terpenoid Natural
Pristimerin Monoglyceridelipase_lysophospholip Terpenoid Natural
Beta-Amyrin Monoglyceridelipase_lysophospholip Terpenoid Natural
Euphol Monoglyceridelipase_lysophospholip ABHD6-Lip Terpenoid Natural Phenanthrene
Ebelactone-A Homoserine_transacetylase Pancreatic_lipase ACPH_Peptidase_S9 Oxooxetan Natural
Ebelactone-B Cutinase Carboxypeptidase_S10 Hepatic_Lipase Lipoprotein_Lipase Pancreatic_lipase Oxooxetan Natural
Esterastin Acidic_Lipase Pancreatic_lipase Oxooxetan Natural Lipase inhibitor
Panclicin-D Pancreatic_lipase Oxooxetan Natural
Valilactone Pancreatic_lipase Oxooxetan Natural
Lipstatin Pancreatic_lipase Oxooxetan Natural Lipase inhibitor
Didemnin-B Palmitoyl-protein_thioesterase Natural Peptide Pyrrolidine Carboxamide
Dihomo-gamma-linolenic-acid Thioesterase Natural Fatty acid
Aflatoxin-M1 ACHE BCHE Natural Toxin Polyketide Mycotoxin-metabolite
Aflatoxin-B1 ACHE Natural Toxin Polyketide Mycotoxin-metabolite
Ulosantoin ACHE Organophosphate Natural Imidazole
Psilocybin ACHE BCHE Organophosphate Natural Alkaloid Indole
Cinnamoylphosphoramide ACHE Organophosphate Natural
Hopeahainol-A ACHE Polyphenol Natural Benzofuran
Memogain ACHE Carb_B_Chordata Derivative of Galanthamine Alkaloid Benzoate Natural_modified Benzazepin Azepane
Phthalimido-Galanthaminium-4d ACHE Derivative of Galanthamine Alkaloid Natural_modified Alkyl linked bis-ligand Isoindole Phthalimido Benzazepin Azepane
Phthalimido-Galanthaminium-8d ACHE Derivative of Galanthamine Alkaloid Natural_modified Alkyl linked bis-ligand Isoindole Indole Phthalimido Benzazepin Azepane
Galanthaminium ACHE Derivative of Galanthamine Alkaloid Natural_modified Benzazepin Azepane
Dihydrobetulonic-acid ABHD12-PHARC Natural Terpenoid
Oleanolic-acid Pancreatic_lipase Not AlphaBeta Hydrolase target Natural Terpenoid
Ursolic-acid ACHE ABHD12-PHARC Not AlphaBeta Hydrolase target Natural Terpenoid
Zeatin ACHE Not AlphaBeta Hydrolase target Natural Purine Aminopurin
Peganine ACHE BCHE Not AlphaBeta Hydrolase target Alkaloid Natural_modified
Desoxypeganine ACHE BCHE Not AlphaBeta Hydrolase target Alkaloid Natural Quinazoline
Gramine ACHE BCHE Alkaloid Natural Not AlphaBeta Hydrolase target Indole
Physovenine ACHE Carbamate Natural Indole Derivative of physostigmine-eserine
3-Alkylpyridinium-Polymers ACHE Polymer Natural
5-hydroxy-tryptamine ACHE BCHE Derivative of Tryptamine Indole Not AlphaBeta Hydrolase target Natural 5-HT-receptor-ligand
2-Methoxyhuprine ACHE Derivative of Huperzine Derivative of Tacrine Quinoline Natural_modified
Guanitoxin ACHE Natural Organophosphate Imidazole
ArisugacinA ACHE Natural Meroterpenoid Chromen
ArisugacinB ACHE Natural Meroterpenoid Chromen
TerreulactoneA ACHE Natural Meroterpenoid
TerreulactoneB ACHE Natural Meroterpenoid
TerreulactoneC ACHE Natural Meroterpenoid
TerreulactoneD ACHE Natural Meroterpenoid
Atropine ACHE Not AlphaBeta Hydrolase target Muscarinic antagonist Drug Alkaloid Natural Azabicyclo Propionate
Cyclophostin ACHE Organophosphate Natural Cyclic OP
Salinipostin-A Plasmodium_subtelomeric_PST-A ABHD13-BEM46 Duf_676 PGAP1 ABHD17-depalmitoylase Organophosphate Cyclic OP Lipase inhibitor Natural
Cyclipostin-P Hormone-sensitive_lipase_like Monoglyceridelipase_lysophospholip Cutinase Organophosphate Cyclic OP Lipase inhibitor Natural
CGA-134-736 ACHE Organophosphate Cyclic OP Natural
CGA-134-735 ACHE Organophosphate Cyclic OP Natural
Choline ACHE BCHE Natural Trimethylammonium
Cocaine BCHE Natural Not AlphaBeta Hydrolase target Drug Alkaloid Benzoate
Scopoletin Coumarin Natural Chromen
D-tubocurarine ACHE Natural Alkaloid Neuromuscular Nondepolarizing Agents Not AlphaBeta Hydrolase target Drug
Dehydroevodiamine ACHE Natural Pyridine Indole beta-carboline Natural_modified Derivative of Evodiamine
Fasciculin1 ACHE Natural Peptide
K32G-fasciculin2 ACHE Fasciculin2 variant Peptide Natural_modified
K25L-fasciculin2 ACHE Fasciculin2 variant Peptide Natural_modified
V34A,L35A-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
R28D-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
R27W-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
P31R-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
K51S-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
R11Q-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
H29D-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
P30del-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
R24T-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
D45K-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
T8A,T9A-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
M33A-fasciculin2 ACHE Fasciculin2 variant Natural_modified Peptide
Fasciculin3 ACHE Peptide Natural
Fluoride BCHE Natural Inorganic chemicals
Sanguinine ACHE Derivative of Galanthamine Natural Alkaloid Benzazepin Azepane
Mahanimbine ACHE Natural Alkaloid
Galanthamine ACHE Derivative of Galanthamine Natural Alkaloid Drug Benzazepin Azepane Multitarget Nicotinic agonist
Bis-galanthamine ACHE Derivative of Galanthamine Alkaloid Alkyl linked bis-ligand Benzazepin Azepane Natural_modified
Geneserine ACHE BCHE Natural Indole Carbamate Derivative of physostigmine-eserine Oxazine
Geneseroline Natural Indole Derivative of physostigmine-eserine Leaving group Oxazine
HuperzineA ACHE Derivative of Huperzine Natural Alkaloid
HuperzineB ACHE Derivative of Huperzine Natural Alkaloid
HuprineW ACHE Derivative of Huperzine Derivative of Tacrine Quinoline Natural_modified
HuprineX ACHE Derivative of Huperzine Derivative of Tacrine Quinoline Natural_modified
P11149 BCHE ACHE Adamantyl Derivative of Galanthamine Alkaloid Benzazepin Azepane Natural_modified
Jatrorrhizine ACHE Natural Alkaloid Not AlphaBeta Hydrolase target Isoquinoline
Isoeugenol-acetate ACHE Natural
Nicotine ACHE BCHE Pectinacetylesterase-Notum Derivative of Nicotine Pyrrolidine Nicotinic agonist Natural Alkaloid Drug Not AlphaBeta Hydrolase target
Onchidal ACHE Natural Acetate
ParazoanthoxanthinA ACHE Natural Imidazole
Physostigmine-methiodide ACHE Derivative of physostigmine-eserine Natural_modified Carbamate Indole
Physostigmine~Eserine ACHE BCHE Arylacetamide_deacetylase Derivative of physostigmine-eserine Natural Carbamate Drug Indole
Ethylpiperidinyl-ethyl-indole-Cpd19 BCHE Indole Piperidine Natural
Pseudozoanthoxanthin-like ACHE Natural Imidazole
Solanidine BCHE Natural Alkaloid Steroid
alpha-Chaconine BCHE Natural Alkaloid Glycoside
Solanine BCHE Natural Alkaloid Carbohydrate Glycoside
TerritremA ACHE Natural Benzodioxo Meroterpenoid
TerritremB ACHE Natural Meroterpenoid
Dihydrotanshinone-I ACHE Carb_B_Chordata Benzofuran Natural Tanshinone
TerritremC ACHE Natural Meroterpenoid
Oleic-acid Oleate Fatty acid Natural
Avenanthramide-B Carboxylesterase Carb_B_Chordata Natural Feruloyl Benzoate
Tamoxifen Carboxylesterase Carb_B_Chordata Drug Natural Not AlphaBeta Hydrolase target
Mevastatin Carboxylesterase Carb_B_Chordata Drug Natural Not AlphaBeta Hydrolase target Naphthalen Antibiotic