Natural

Substrates or inhibitors found in nature. Toxins are harmful substances produced within living cells or organisms
Substrate Main targeted enzyme families Type Structure
BrefeldinA Hormone-sensitive_lipase_like Natural Antibiotic Macrocycle Toxin
Prostaglandin-D2-Glyceryl-Ester Carb_B_Chordata Prostaglandin Acyl-Glycerol Cannabinoid-Receptor-ligand Natural
Homocysteine-thiolactone Valacyclovir-hydrolase BCHE Natural Sulfur Compound Not A\/B H target
Rhodomycin-D Aclacinomycin-methylesterase_RdmC Macrolide Polyketide Natural Antibiotic
Tylosin Aclacinomycin-methylesterase_RdmC Macrolide Polyketide Natural Antibiotic
Tilmicosin Aclacinomycin-methylesterase_RdmC Macrolide Polyketide Natural Antibiotic
Tildipirosin Aclacinomycin-methylesterase_RdmC Macrolide Polyketide Natural Antibiotic
Leucomycin-a5 Aclacinomycin-methylesterase_RdmC Macrolide Polyketide Natural Antibiotic
Adipic-acid Canar_LipB Natural Fatty acid
Hexanoic-acid CarbLipBact_2 Fungal_carboxylesterase_lipase Lipase_2 Bacterial_lip_FamI.5 Canar_LipB Natural Fatty acid
Sapienic-acid Bacterial_lip_FamI.6 Fatty acid Natural
Ochratoxin-A 6_AlphaBeta_hydrolase Natural Antibiotic Peptide Propionate Toxin Chromen
Sorbitol Natural Buffer Component
Dihydroprecondylocarpine-acetate Plant_carboxylesterase Indole Alkaloid Natural
Voacangine Hydroxynitrile_lyase Alkaloid Indole Natural
Dehydrosecodine Plant_carboxylesterase Alkaloid Indole Natural
Butyl-gallate Carboxylesterase Carb_B_Chordata Derivative of Gallate Natural
Gallotannin Tannase_Bact Tannase Derivative of Gallate Natural Polyphenol
P(3HB-co-4HB) PHA_synth_I Polyhydroxyalkanoate Natural Polymer
P(3HB-co-3HHx) PHA_synth_I PHA_synth_II Polyhydroxyalkanoate Natural Polymer Hexanoate
3-Hydroxydecanoyl-3-hydroxydecanoic-acid HAA-synthase-thioesterase-RhlA-PhaG Natural Fatty acid
3-hydroxydecanoic-acid PHA_synth_II HAA-synthase-thioesterase-RhlA-PhaG Natural Fatty acid
Sinapinic-acid Esterase_phb Tannase Lipase_3 Natural Acrylate Hydroxycinnamic-ester
Lecanoric-acid Thioesterase BD-FAE Natural
Orsellinate Thioesterase BD-FAE Natural
Everninic-acid Natural
Evernic-acid Natural
Tiancimycin-B Tiancimycin-TnmK-Tripeptidase-HIP Natural Antibiotic Polyketide
PHB-Dimer 6_AlphaBeta_hydrolase Natural Polymer Polyhydroxyalkanoate
Menthol Hormone-sensitive_lipase_like Fungal_carboxylesterase_lipase Natural Flavor
Thiostrepton 6_AlphaBeta_hydrolase Natural Peptide Antibiotic Macrocycle Quinoline
Gossypol Carb_B_Arthropoda Natural Insecticide Polyphenol
P(3HO) 5_AlphaBeta_hydrolase PHAZ7_phb_depolymerase Extracel-MCL-phaZ Polyhydroxyalkanoate Polymer Natural
P(6HO) 5_AlphaBeta_hydrolase Polyhydroxyalkanoate Polymer Natural
1,3,6-Trigalloylglucose Tannase Tannase_Bact Derivative of Gallate Natural Polyphenol
Benzyl-butyl-phthalate Fungal_carboxylesterase_lipase Cutinase Phthalate Natural
Tiancimycin-H Tiancimycin-TnmK-Tripeptidase-HIP Natural Antibiotic Polyketide
Coumarin-3-carboxylic-acid FAE-Bacterial-promiscuous Natural Coumarin Chromen
Cinnamic-acid FAE-Bacterial-promiscuous Canar_LipB Lipase_3 Natural
3-Phenylpropionic-acid Canar_LipB Natural Propionate
Ethyl-cinnamate FAE-Bacterial-promiscuous Lipase_3 Natural
Omphalotin-A S9N_PPCE_Peptidase_S9 Peptide Natural Macrolide Polyketide Antibiotic
Mycotoxin-T-2 Carb_B_Chordata Hormone-sensitive_lipase_like Natural Toxin Mycotoxin-metabolite Epoxide
Skyllamycin-A Thioesterase Peptide Natural Macrolide Polyketide Antibiotic Azabicyclo
Skyllamycin-like-precursor Thioesterase Peptide Natural Polyketide Macrolide Antibiotic
6-Tuliposide-B Plant_carboxylesterase Natural Carbohydrate
6-Tuliposide-A Plant_carboxylesterase Natural Carbohydrate
MeGlcA2 Glucuronoyl_esterase Natural Glucuronoyl Carbohydrate
MeGlcA Glucuronoyl_esterase Natural Glucuronoyl Carbohydrate
Pimaricin Thioesterase Natural Macrolide Polyketide Antibiotic
Rosmarinic-acid Hormone-sensitive_lipase_like Natural Hydroxycinnamic-ester
delta-octalactone Lactone Natural
delta-hexadecalactone Canar_LipB Lactone Natural Pheromone Hexadecanoate Palmitate
Caffeoylshikimate Monoglyceridelipase_lysophospholip Natural
Mycophenolic-acid-CoA MpaH CoA Natural Benzofuran Aminopurin
Retinol-palmitate Pancreatic_lipase Carb_B_Chordata Fungal_carboxylesterase_lipase Cholesterol_esterase Acidic_Lipase Natural Retinol ester Hexadecanoate Palmitate
Retinol-oleate Pancreatic_lipase Cholesterol_esterase Retinol ester Natural Oleate
Retinol-acetate Retinol ester Natural Acetate
ORFZ-Substrate Duf_1100-S Mycotoxin-metabolite Natural Toxin
PyiE-Substrate Duf_1100-S Mycotoxin-metabolite Natural Toxin
CurDD BCHE CMBL Carb_B_Chordata Drug Pro-Drug Natural_modified
Rifampicin Arylacetamide_deacetylase Drug Not A\/B H target Acetate Natural Antibiotic
Epicatechin-gallate AlphaBeta_hydrolase Plant_carboxylesterase Derivative of Gallate Natural Polyphenol Benzoate Chromen
Epigallocatechin-gallate AlphaBeta_hydrolase Plant_carboxylesterase Derivative of Gallate Benzoate Natural Polyphenol
Pentagalloylglucose Plant_carboxylesterase Derivative of Gallate Natural Polyphenol
DHDMP MpaH Natural Benzofuran
15-Hete-G Acyl-Glycerol Cannabinoid-Receptor-ligand Natural
PGE2-glyceryl-ester Monoglyceridelipase_lysophospholip ABHD6-Lip ABHD12-PHARC Carb_B_Chordata Prostaglandin Acyl-Glycerol Cannabinoid-Receptor-ligand Natural
1,5-Seco-vibralactone Hormone-sensitive_lipase_like Natural Lactone
Chlorogenic-acid Fungal_carboxylesterase_lipase AlphaBeta_hydrolase Tannase FaeC Hormone-sensitive_lipase_like Plant_carboxylesterase Monoglyceridelipase_lysophospholip Natural Hydroxycinnamic-ester
Propyl-gallate Plant_carboxylesterase Derivative of Gallate Natural Polyphenol Benzoate
Beta-Glucogallin Plant_carboxylesterase Derivative of Gallate Natural Polyphenol Benzoate
N-acetylserotonin Arylacetamide_deacetylase Derivative of Tryptamine Indole Not A\/B H target Natural
Z-3-Hexenyl-acetate Plant_carboxylesterase Carb_B_Arthropoda Acetate Plant volatile Natural Odorant Flavor
E-2-hexenyl-acetate Plant_carboxylesterase Carb_B_Arthropoda Acetate Plant volatile Natural Flavor
2-Heptylquinolin-4(1H)-one HOD-cofactorfree-dioxygenase Quinoline Natural
2-Heptyl-3-hydroxy-4-quinolone HOD-cofactorfree-dioxygenase Quinoline Natural
Methyl-farnesoate Juvenile_hormone_esterase Carb_B_Arthropoda Natural
2-Monoolein abh_upf0017 Natural Acyl-Glycerol
1-Oleoyl-2-arachidonoyl-sn-glycerol Lipase_3 Natural Acyl-Glycerol
1-Stearoyl-2-arachidonoylglycerol Lipase_3 Natural Acyl-Glycerol
O-palmitoleoyl-L-serine Pectinacetylesterase-Notum Natural Acyl peptide
Zearalenone Carbon-carbon_bond_hydrolase Zearalenone-hydrolase Zearalenone-hydrolase-fam2 6_AlphaBeta_hydrolase Natural Toxin Macrolide Polyketide Mycotoxin-metabolite
N-acetylanthranilate Hormone-sensitive_lipase_like HOD-cofactorfree-dioxygenase Natural Benzoate
DSHA Carbon-carbon_bond_hydrolase Natural Inden
Gibberellin-A3 Plant_carboxylesterase Natural Plant hormone
Gibberellin-A4 Plant_carboxylesterase Natural Plant hormone
Hepoxilin-A3 Epoxide_hydrolase Natural Epoxide Fatty acid
Hepoxilin-B3 Epoxide_hydrolase Natural Epoxide Fatty acid
Beta-zearalenol Zearalenone-hydrolase Mycotoxin-metabolite Polyketide Macrolide Natural Toxin
Alpha-zearalenol Zearalenone-hydrolase Mycotoxin-metabolite Polyketide Macrolide Natural Toxin
3-hydroxyoctanoate Hydroxynitrile_lyase Fatty acid Natural
3-Oxoheptanoic-acid Hydroxynitrile_lyase Natural Fatty acid
Undecanoic-acid ABHD6-Lip Natural Fatty acid
Stearic-acid Natural Fatty acid
Myristic-acid Pectinacetylesterase-Notum Natural Fatty acid Tetradecanoate
Alpha-amanitin-proprotein S9N_PPCE_Peptidase_S9 Natural Toxin Macrocycle Peptide
Suberin Cutinase Polymer Natural
Cutin Cutinase Acetylxylan_esterase Polyesterase-lipase-cutinase Polymer Natural
7-Aminocephalosporanic-acid Acetyl-esterase_deacetylase BD-FAE Natural Antibiotic Azabicyclo
Methyl-salicylate Hydroxynitrile_lyase 6_AlphaBeta_hydrolase Plant hormone Natural Aryl ester Salicylic Benzoate
Karrikin-4 RsbQ-like Plant hormone Karrikin Butenolide Natural Strigolactone receptors ligand
Karrikin-3 RsbQ-like Plant hormone Karrikin Butenolide Natural Strigolactone receptors ligand
Karrikin-2 RsbQ-like Plant hormone Karrikin Butenolide desmethyl Strigolactone receptors ligand Strigolactone receptors ligand Natural
Karrikin-1 RsbQ-like Plant hormone Karrikin Butenolide Natural Strigolactone receptors ligand
5-Deoxystrigol RsbQ-like Plant_carboxylesterase Plant hormone Strigolactone Strigolactone receptors ligand Natural Inden
Orobanchol RsbQ-like Plant_carboxylesterase Plant hormone Strigolactone Strigolactone receptors ligand Natural
4-Deoxyorobanchol RsbQ-like Plant hormone Strigolactone Strigolactone receptors ligand Natural Inden
Sorgolactone RsbQ-like Plant hormone Strigolactone Strigolactone receptors ligand Natural Inden
Strigol RsbQ-like Plant hormone Strigolactone Strigolactone receptors ligand Natural Inden
SCHEMBL4804016 Plant_carboxylesterase Natural Flavonoid Chromen
Cephalosporin-C Homoserine_transacetylase Acetyl-esterase_deacetylase BD-FAE Natural Antibiotic Azabicyclo
PHB Esterase_phb Esterase_phb_PHAZ PHAZ7_phb_depolymerase PolyAspartate-hydrolase PHB_depolymerase_PhaZ PHA_synth_I OHBut_olig_hydro_put Natural Polymer Polyhydroxyalkanoate
PHBV Esterase_phb Bacterial_lip_FamI.5 Extracel-MCL-phaZ Natural Polymer Polyhydroxyalkanoate
Arbutin Lipase_3 Natural
Cholesterol PC-sterol_acyltransferase Bacterial_lip_FamI.6 Natural Steroid Phenanthrene
Coelenterazine Haloalkane_dehalogenase-HLD2 Luciferin Natural
Fumonisin-B1 Carb_B_Bacteria Mycotoxin-metabolite Natural Toxin
Deacetylcephalosporin-C Homoserine_transacetylase Natural Antibiotic Azabicyclo
Phaeophytin-a Pheophytinase Chlorophyllase_Plant Chlorophyllase Natural Chlorophyll-like
PAF PAF-Acetylhydrolase LYsophospholipase_carboxylesterase Natural Trimethylammonium Water-insoluble medium and long chain ester Choline ester Not A\/B H target Phosphatidylcholine
Aclarubicin Aclacinomycin-methylesterase_RdmC Antibiotic Natural Polyketide
Aclacinomycin Aclacinomycin-methylesterase_RdmC Antibiotic Natural Polyketide
2-Arachidonylglycerol Monoglyceridelipase_lysophospholip ABHD6-Lip Carb_B_Chordata ABHD12-PHARC abh_upf0017 Acyl-Glycerol Cannabinoid-Receptor-ligand Natural
Bacteriochlorophyll-a Chlorophyllase_Plant Chlorophyllase Natural Chlorophyll-like
Chlorophyll-a Chlorophyllase_Plant Chlorophyllase Pheophytinase Natural Chlorophyll-like
Memogain Carb_B_Chordata Derivative of Galanthamine Alkaloid Natural_modified Benzoate Benzazepin Azepane
Atropine BCHE AlphaBeta_hydrolase Not A\/B H target Muscarinic antagonist Drug Alkaloid Natural Azabicyclo Propionate
Juvenile-hormone-II Epoxide_hydrolase Natural Lactone Epoxide
Juvenile-hormone-III Epoxide_hydrolase Juvenile_hormone_esterase Natural Lactone Epoxide
Octylacetate Carb_B_Arthropoda Acetate Alkyl ester Plant volatile Natural
Hexylacetate Carb_B_Arthropoda Acetate Alkyl ester Plant volatile Natural
isoamyl-butyrate Polyesterase-lipase-cutinase Lipase_3 Acetate Flavor Natural Pheromone
3-methyl-butylacetate ACHE Canar_LipB Polyesterase-lipase-cutinase Acetate Flavor Natural
Acetylcholine ACHE BCHE Cholinesterase Cholinesterase-like Acetate Trimethylammonium Natural Choline ester
Cocaine BCHE Carb_B_Chordata Cocaine_esterase Natural Drug Alkaloid Benzoate Azabicyclo
6-monoacetylmorphine BCHE Natural Drug Isoquinoline Alkaloid
Heroin BCHE Carb_B_Chordata Natural Drug Isoquinoline Alkaloid
Oleoyl-CoA Carboxylesterase Carb_B_Chordata Natural CoA Aminopurin
4-Acetoxyphenol Hormone-sensitive_lipase_like Aryl ester Natural
3-Methyl-3-butenyl-acetate Natural Acetate
Geranyl-acetate Canar_LipB Carb_B_Arthropoda Alkenyl ester Acetate Natural Plant volatile