INTEDE Provided 1,897 Drug-Metabolizing Enzymes (DMEs) Metabolizing:

1,698 FDA Approved Drugs, 1,957 Clinical/Preclinical Drugs, 1,046 Other Drugs.

Three Main Components of Drug Metabolic Roadmap are Provided for Each Drug in INTEDE 2.0 :

α. Metabolic Reaction (MR)

22,165 MRs between 4,701 drug and 18,882 drug metabolites, of which 16,274 DMs with structures. 423 reaction types including hydroxylation, glucuronidation, etc.

β. Drug-metabolizing Enzyme (DME)

1,088 DMEs catalyzing 12,226 different metabolic reactions are sequentially localized in drug metabolic roadmap.

γ. Drug Metabolite (DM)

18,882 DMs, including 1,212 major DMs, 1,277 DMs with pharmacological activity, 332 DM with documented toxicity, and 3,429 DMs with potential toxicity.

Three Aspects of DME Interactome are Provided for Each DME in INTEDE 1.0 (Graphic Illustration) :

α. Microbiome-DME Interaction (MICBIO)

3,359 interactions between 225 microbiome species and 185 DMEs. Microbiomes are from 69 families and parasitized in 9 sites.

β. Host Protein-DME Interaction (HOSPPI)

7,849 interactions between 565 host proteins and 566 DMEs, of DNA methylation, transcription factor regulation and oligomerization.

γ. Xenobiotics-DME Interaction (XEOTIC)

47,778 interactions between 4,150 xenobiotics and 501 DMES. 31 classes of xenobiotics, including drugs, mycotoxin, food additive, etc.

Data Atandardization, Access and Retrieval:

1. Diseases Affected by the Drugs of Clinical Importance

All diseases were standardized using the latest version of International Classification of Diseases (ICD-11, released by the WHO)

2. EC Classification of Each Drug-Metabolizing Enzyme (DME)

Classification of each DME was standardized using the enzyme classification (EC) of BRENDA Database

3. Unit of Experimental Enzyme Kinetic Data (Km value) for Metabolizing Drugs

The kinetic measured by Km value for the drugs metabolized by their corresponding DMEs were unified to the unit of micromolar

4. 2D and 3D Structures of Small Molecular Drugs

The structures of the small molecular drugs transported by DTs were drawn and were standardized in the .sdf format (both 2D and 3D)

5. Crosslinking with Other Biological/Pharmaceutical Databases

UniProtKB, TCDB, dbSNP, Drugs@FDA, ClinicalTrials.gov, ICD-11, PubChem, ChEBI, TTD, NCBI Gene, CAS Registry Number, etc.