Metabolic pathways are enzyme-mediated biochemical reactions that lead to biosynthesis (anabolism) or breakdown (catabolism) of natural product small molecules within a cell or tissue. In each pathway, enzymes catalyze the conversion of substrates into structurally similar products. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation. Metabolism maintains the living state of the cells and the organism.

Proteases are used throughout an organism for various metabolic processes. Proteases control a great variety of physiological processes that are critical for life, including the immune response, cell cycle, cell death, wound healing, food digestion, and protein and organelle recycling. On the basis of the type of the key amino acid in the active site of the protease and the mechanism of peptide bond cleavage, proteases can be classified into six groups: cysteine, serine, threonine, glutamic acid, aspartate proteases, as well as matrix metalloproteases. Proteases can not only activate proteins such as cytokines, or inactivate them such as numerous repair proteins during apoptosis, but also expose cryptic sites, such as occurs with β-secretase during amyloid precursor protein processing, shed various transmembrane proteins such as occurs with metalloproteases and cysteine proteases, or convert receptor agonists into antagonists and vice versa such as chemokine conversions carried out by metalloproteases, dipeptidyl peptidase IV and some cathepsins. In addition to the catalytic domains, a great number of proteases contain numerous additional domains or modules that substantially increase the complexity of their functions.

Imbalances in metabolic activities have been found to be critical in a number of pathologies, such as cardiovascular diseases, inflammation, cancer, and neurodegenerative diseases.

References:
[1] Turk B, et al. EMBO J. 2012 Apr 4;31(7):1630-43.
[2] Eatemadi A, et al. Biomed Pharmacother. 2017 Feb;86:221-231.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Eupalinolide B

Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1].

  • CAS Number: 877822-40-7
  • MF: C24H30O9
  • MW: 462.490
  • Catalog: HSP
  • Density: 1.24±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: 618.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.4±25.0 °C

Irucalantide

Irucalantide is kallikrein inhibitor[1].

  • CAS Number: 1631160-47-8
  • MF: C76H106N20O18S3
  • MW: 1683.97
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ledipasvir (acetone)

Ledipasvir acetone is the active pharmaceutical ingredient of Ledipasvir. Ledipasvir is an inhibitor of the hepatitis C virus NS5A, with EC50 values of 34 pM against GT1a and 4 pM against GT1b replicon.

  • CAS Number: 1441674-54-9
  • MF: C52H60F2N8O7
  • MW: 947.079
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(9,9-2H2)Hexadecanoic acid

Palmitic acid-d2-2 is the deuterium labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. PA can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2].

  • CAS Number: 272442-14-5
  • MF: C16H30D2O2
  • MW: 258.44
  • Catalog: HSP
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 340.6±5.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 154.1±12.5 °C

Enpp-1-IN-10

Enpp-1-IN-10 (compound 1) is a potent Ecto-nucleotide pyrophosphatase/phosphodiesterases 1 (ENPP1) inhibitor with an Ki value of 3.866 μM. Enpp-1-IN-10 can be used for researching anticancer[1].

  • CAS Number: 2631704-38-4
  • MF: C13H12N6OS
  • MW: 300.34
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 protease-IN-11

HIV-1 protease-IN-11 (compound 34a) is a HIV-1 protease inhibitor with an IC50 of 0.41 nM. HIV-1 protease-IN-11 also exhibits significant activity against drug-resistant variant[1].

  • CAS Number: 2925287-54-1
  • MF: C26H37N3O5S
  • MW: 503.65
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NVP DPP 728

NVP-DPP728 is a potent, reversible and nitrile-dependent dipeptidyl peptidase IV (DPP-IV) inhibitor. NVP-DPP728 can inhibit human DPP-IV amidolytic activity with a Ki of 11 nM. NVP-DPP728 inhibits degradation of glucagon-like peptide-1 (GLP-1) and thereby potentiates insulin release in response to glucose intake. NVP-DPP728 can be used for researching diabetes[1].

  • CAS Number: 247016-69-9
  • MF: C15H18N6O
  • MW: 298.34
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Benzyloleamide

N-Benzyloleamide is a maccamide isolated from Lepidium meyenii (Maca). N-Benzyloleamide irreversibly inhibits fatty acid amide hydrolase (FAAH). N-benzyloleamide influences the energy metabolism and reveals antioxidant and antifatigue activities[1][2].

  • CAS Number: 883715-21-7
  • MF: C26H43NO2
  • MW: 371.61
  • Catalog: FAAH
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SREBP/SCAP-IN-2

SREBP/SCAP-IN-2(compound 13) is a selectiveSREBP/SCAPinhibitor[1].

  • CAS Number: 2763493-94-1
  • MF: C27H37ClF2N4O
  • MW: 507.06
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cathepsin X-IN-1

Cathepsin X-IN-1 (compound 25) is a potent Cathepsin X inhibitor with an IC50 of 7.13 µM. Cathepsin X-IN-1 decreases PC-3 cell migration with low cytotoxic[1].

  • CAS Number: 2418577-51-0
  • MF: C15H13N3O3S
  • MW: 315.35
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atractylochromene

Atractylochromene is a potent dual inhibitor of 5-LOX/COX-1 with IC50s of 0.6 and 3.3 μM, respectively[1].

  • CAS Number: 203443-33-8
  • MF: C17H22O2
  • MW: 258.36
  • Catalog: COX
  • Density: 1.030±0.06 g/cm3(Predicted)
  • Boiling Point: 387.1±42.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Endoproteinase Asp-N

Endoproteinase Asp-N (Asp-N) is a metalloprotease that can specifically cleave the N-terminal side of aspartyl and cysteic acid residues[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JNJ-42226314

JNJ-42226314 is a competitive, highly selective and reversible non-covalent monoacylglycerol lipase (MAGL) inhibitor. JNJ-42226314 demonstrates dose-dependent enhancement of the major endocannabinoid 2-arachidonoylglycerol (2-AG) as well as efficacy in models of neuropathic and inflammatory pain[1].

  • CAS Number: 1252765-13-1
  • MF: C26H24FN5O2S
  • MW: 489.56
  • Catalog: MAGL
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SR 0987

SR0987 is a RORγt agonist, with an EC50 of 800 nM.

  • CAS Number: 303126-97-8
  • MF: C16H10ClF6NO2
  • MW: 397.699
  • Catalog: ROR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 378.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 182.9±27.9 °C

DPP1-IN-1 hydrate

DPP1-IN-1 hydrate is a DPP1 inhibitor (IC50: 1.6 nM). DPP1-IN-1 hydrate has good bioavailability and pharmacokinetic characteristics, and can be used for research of inflammatory disease[1].

  • CAS Number: 2971064-13-6
  • MF: C23H25FN4O5
  • MW: 456.47
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RS6212

RS6212 is a specific LDH (lactate dehydrogenase) inhibitor with an IC50 value of 12.03 μM . RS6212 inhibits tumor growth and exhibits potent anticancer activity in multiple cancer cell lines[1].

  • CAS Number: 2097925-52-3
  • MF: C20H22N4O3S
  • MW: 398.48
  • Catalog: Lactate Dehydrogenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bis(maltolato)oxovanadium(IV)

Bis(maltolato)oxovanadium(IV) (BMOV) is a potent, reversible, competitive and orally active pan-PTP (protein tyrosine phosphatases) inhibitor. Bis(maltolato)oxovanadium(IV) inhibits HCPTPA, PTP1B, HPTPβ and SHP2 with IC50s of 126 nM, 109 nM, 26 nM and 201 nM, respectively. Bis(maltolato)oxovanadium(IV) is a potent insulin sensitizer[1][2].

  • CAS Number: 38213-69-3
  • MF: C12H10O7V
  • MW: 317.145
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: 284.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 127.3ºC

XL335

WAY-362450 is a potent, selective, and orally bioavailable FXR agonist with EC50 of 4 nM.

  • CAS Number: 629664-81-9
  • MF: C25H24F2N2O3
  • MW: 438.466
  • Catalog: FXR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 617.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 327.1±31.5 °C

Teneligliptin D8

Teneligliptin D8 (MP-513 D8) a deuterium labeled Teneligliptin (MP-513). Teneligliptin is a potent, orally available, competitive, and long-lasting DPP-4 inhibitor[1].

  • CAS Number: 1391012-95-5
  • MF: C22H22D8N6OS
  • MW: 434.628
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 663.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 355.0±31.5 °C

AMG-579

AMG 579 is a potent, selective, and efficacious inhibitor of phosphodiesterase 10A (PDE10A) with an IC50 of 0.1 nM.

  • CAS Number: 1227067-61-9
  • MF: C25H23N5O3
  • MW: 441.48
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK2-IN-5

MK2-IN-5 is a Mk2 pseudosubstrate (Ki= 8 μM). MK2-IN-5 targets the protein interaction domain in the MAPK pathway. MK2-IN-5 inhibits HSP25 and HSP27 phosphorylation[1][2][3].

  • CAS Number: 474713-20-7
  • MF: C61H113N21O16
  • MW: 1396.68
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apatorsen sodium

Apatorsen (sodium) is an antisense oligonucleotide designed to bind to Hsp27 mRNA, resulting in the inhibition of the production of Hsp27 protein.

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DPP-4 inhibitor 1

DPP-4 inhibitor 1 (compound 5) is a potent and long acting Dipeptidyl peptidase-4 (DPP-4) inhibitor for t treatment of T2DM, with a KD of 0.177 nM[1].

  • CAS Number: 1915007-89-4
  • MF: C21H15F3N2O2
  • MW: 384.35
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1H-Purine-2,6-dione,7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-,hydrochloride (1:1)

Theodrenaline hydrochloride is a cardiac stimulant, also acts as an anti-hypotensive agent together with Cafedrine.

  • CAS Number: 2572-61-4
  • MF: C17H22ClN5O5
  • MW: 411.84
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: 723.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.4ºC

BRD9500

BRD9500 is an orally active phosphodiesterases 3 (PDE3) inhibitor with IC50s of 10 and 27 nM for PDE3A and PDE3B, respectively. Antitumor activity[1].

  • CAS Number: 1630760-75-6
  • MF: C15H18FN3O2
  • MW: 291.32
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JCP174

JCP174 is an inhibitor of palmitoyl protein thioesterase-1 (TgPPT1), a depalmitoylase in the parasite T. gondii[1]. JCP174 is also an inhibitor of porcine pancreatic elastase and human leukocyte elastase[2][3].

  • CAS Number: 126062-19-9
  • MF: C12H12ClNO3
  • MW: 253.682
  • Catalog: Elastase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 463.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 234.1±28.7 °C

Aureusidin

Aureusidin is an aurone with high antioxidant and lipoxygenase inhibitory activity. Aureusidin also shows anti-inflammatory effects[1].

  • CAS Number: 38216-54-5
  • MF: C15H10O6
  • MW: 286.23600
  • Catalog: 5-Lipoxygenase
  • Density: 1.708g/cm3
  • Boiling Point: 628.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 244.3ºC

mvt 101

Mvt-101 is a hexapeptide-based inhibitor of HIV-1 protease. Mvt-101 is also reduced-peptide-bond inhibitor. Mvt-101 inhibits reproduction of the HIV virus by blocking protease action[1].

  • CAS Number: 125552-93-4
  • MF: C35H67N11O8
  • MW: 769.97500
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SKF107457

SKF107457 is an HIV-1 protease inhibitor that can be used in AIDS research[1][2].

  • CAS Number: 126333-28-6
  • MF: C29H47N5O7
  • MW: 577.71300
  • Catalog: HIV Protease
  • Density: 1.154g/cm3
  • Boiling Point: 897.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 496.8ºC

Lovastatin hydroxy acid sodium

Lovastatin hydroxy acid sodium (Mevinolinic acid sodium) is a highly potent inhibitor of HMG-CoA reductase with a Ki of 0.6 nM[1].

  • CAS Number: 75225-50-2
  • MF: C24H37NaO6
  • MW: 444.537
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: 602.3ºC at 760 mmHg
  • Melting Point: 154-160ºC
  • Flash Point: 199.1ºC