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Biochemicals
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- EBI2/GPR183
- Endothelin Receptor
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- Hedgehog/Smoothened
- Histamine Receptor
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- LPL Receptor
- Melanin-concentrating Hormone Receptor (MCHR)
- Melanocortin Receptor
- Melatonin Receptor
- Motilin Receptor
- Neurokinin receptor
- Neuropeptide W
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- Neurotensin Receptor
- Opioid Receptor
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- Interleukin
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- Raf
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- S6 Kinase
- TOPK
- ABC
- Anion Exchanger
- Aquaporin
- ATPase
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- Calcium Channel
- CFTR
- Chloride channel
- CRM1
- GABA Receptor
- HCN Channel
- iGluR
- Monoamine Transporter
- Monocarboxylate transporter
- Na+/Ca2+ Exchanger
- Na-K-Cl cotransporter
- NPC1L1
- OAT
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- P2X Receptor
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- Piezo Channel
- Potassium Channel
- Proton pump
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- VDAC
- Acetyl-CoA Carboxylase
- aconitase
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- Amino Acids and Derivatives
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- Amylase
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- Dehydrogenase
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- Drug Metabolite
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- Fatty Acid Synthase
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- GSNOR
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- Hexokinase
- HIF/HIF Prolyl-Hydroxylase
- HMG-CoA Reductase
- HSP
- Hydrogenase
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- IDO
- Indoleamine 2,3-Dioxygenase (IDO)
- Isocitrate Dehydrogenase (IDH)
- LDL
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- Lipid
- Lipoxygenase
- Liver X Receptor
- MAGL
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- Mitochondrial Metabolism
- N-Acetylglucosaminyltransferase
- NADPH
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- P450
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- RAR/RXR
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- Reductase
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- Serine/threonin kinase
- SGK
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- stilbene oxidase
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- transporter
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- Vitamin
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- Antibacterial
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- Ribosome
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- SARS-CoV
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- AAK1 (AP2 associated kinase 1)
- AChE
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- Adenosine Receptor
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- BACE
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- Beta-Secretase
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- Huntingtin
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- MAO
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- MT Receptor
- Neurokinin receptor
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- Neuropeptide Y Receptor
- NMDAR
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- P2X Receptor
- P2Y Receptor
- P-gp
- Serotonin Transporter
- IRAK
- IκB/IKK
- NF-κB
- NOD
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- Reactive Oxygen Species
- RIP kinase
- advanced glycation end products
- CYP19A1
- Decarboxylase
- DprE1
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- Others
- Platelet aggregation
- Progesterone Receptor
- Antioxidant
- CAT
- Free radical scavengers
- Glutathione reductase
- GPX
- GST
- Akt
- AMPK
- ATM/ATR
- DNA-PK
- GSK-3
- MELK
- mTOR
- PDK
- PI3K
- PI4K
- PTEN
- S6 Kinase
- SIK
- ATTECs
- AUTACs
- E3 Ligase Ligand-Linker Conjugate
- Ligand for E3 Ligase
- Ligands for Target Protein for PROTAC
- LYTACs
- Molecular Glues
- PROTAC Linker
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- SNIPERs
- Target Protein Ligand-Linker Conjugate
- Carboxypeptidase
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- Glutaminase
- HCV Protease
- HIV Protease
- MMP
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- Protease
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- Serine Protease
- Thrombin
- Tyrosinase
- Casein Kinase
- Gamma-secretase
- GSK-3
- Hedgehog/Smoothened
- Hippo pathway
- JAK
- Porcupine
- ROCK
- Smo
- STAT
- Stemness kinase
- TGF-beta/Smad
- Wnt/beta-catenin
- YAP
- ACK
- ALK
- Bcr-Abl
- BTK
- c-Fms
- c-Kit
- c-Met/HGFR
- c-RET
- CSF-1R
- Discoidin Domain Receptor (DDR)
- DYRK
- EGFR
- Ephrin Receptor
- FAK
- FGFR
- FLT
- Hck
- HER
- IGF-1R
- PDGFR
- PKA
- PYK2
- ROS Kinase
- Src
- Syk
- TAM Receptor
- Tie-2
- Trk receptor
- Tyrosine Kinases
- VEGFR
- DUB
- E1/E2/E3 Enzyme
- p97
- Proteasome
- PROTAC-Linker Conjugates for PAC
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- Antibody-Drug Conjugates (ADCs)
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- Tumor
- Anti-infective
- Cardiovascular disease
- Development and reproduction
- Digestive disorders
- Inflammation and immunity
- Metabolic diseases
- Neurological disorders
- Other Fields
- Alangiaceae
- Aquifoliaceae
- Cephalotaxaceae
- Costaceae
- Daphniphyllaceae
- Dioscoreaceae
- Eucommiaceae
- Ginkgoaceae
- Hippocastanaceae
- Illiciaceae
- Lycopodiaceae
- Moringaceae
- Myricaceae
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- Nelumbonaceae
- Nothofagaceae
- Nyssaceae
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- Other
- Alkaloids
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- Flavonoids
- Lignans
- Others
- Phenols
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- Quinones
- Saccharides and Glycosides
- Steroids
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- Hematologic Malignancies Target Proteins
- Solid Tumors Target Proteins
- B Cell CD Proteins
- Cell Activation CD Proteins
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- Cytokine Receptor CD Proteins
- Endothelial Cell CD Proteins
- Myeloid Cell CD Proteins
- NK/Non-lineage Cell CD Proteins
- Other CD Proteins
- Platelet CD Proteins
- T Cell CD Proteins
- Cytokines
- Epidermal Growth Factor Family, EGFs
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- Others
- Hydrolases,EC 3
- Isomerases,EC 5
- Ligases or Synthetases,EC 6
- Lyases,EC 4
- Oxidoreductases,EC 1
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- Translocases,EC 7
- Butyrophilins
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- Cell Adhesion Receptors
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- Fc Receptors
- G Protein-Coupled Receptors, GPCRs
- Ion Channel-Linked Receptors
- Nuclear Receptors
- Receptor Serine/Threonine Kinases
- Receptor Tyrosine Kinases
- Others
- Coronavirus (CoV) Proteins
- DENV Proteins
- EBOV Proteins
- HBV Proteins
- HCV Proteins
- HIV Proteins
- Influenza Proteins
- RSV Proteins
- Others
- Molecular Docking
- Virtual Screening
- Biomolecular Interaction
- Custom Synthesis
- AI-driven Ultra High-throughput Virtual Screening
Molecular Docking
Unveiling Protein-Ligand Interactions. Navigating Molecular Landscapes with precision.
Inquiry
ADVANTAGES
Copyrighted software
Utilize top software like MOE, Schrödinger, and OpenEye for docking.
Experienced Team
Over a decade of practical experience ensures precise identification of drug-binding pockets.
Comprehensive Analysis
Various analyses provide clear insight into binding patterns.
Visualized Binding Modes
Beautifully presented binding mode diagrams for understanding and publications.
TargetMol's hit candidates: accelerating and simplifying drug discovery
Provided by TargetMol
Inquiry
Molecular docking refers to a computational technique in which receptors and ligands recognize each other to form molecular complexes through energy matching, spatial matching, and chemical property matching, and predict the structure of the complexes.
WORKFLOW
In the process of general mechanism research, it is necessary to understand the specific binding mode, which is the most direct interpretation of the mechanism and crucial for research. Some reference diagrams for combination modes are shown on the left.
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