Molecule Tutorials - Herong's Tutorial Examples
∟ChEMBL Database - European Molecular Biology Laboratory
∟What Is ChEMBL
This section provides a quick introduction of what is ChEMBL.
ChEMBL is a manually curated database of bioactive molecules with drug-like
properties. It brings together chemical, bioactivity and genomic data
to aid the translation of genomic information into effective new drugs.
ChEMBL is provided by EMBL (European Molecular Biology Laboratory).
Main features of ChEMBL database:
- ChEMBL database is free to use.
- It collected 12,482 Targets,
1,879,206 Distinct compounds,
15,504,603 Activities, and more.
- It has a nice Web user interface with capabilities like
searching by keyword, substructure or similarity.
It also provides Compound Report Cards with full details
and related information.
- It has a nice Web Services interface with capabilities like
searching by keyword, substructure or similarity. It allows you to retrieve
resources of different types in different formats, like structure SVG diagram.
- You can download the entire ChEMBL database in MySQL or Oracle formats.
For more information, go to the ChEMBL Website at
https://www.ebi.ac.uk/chembl/.
Table of Contents
About This Book
Introduction of Molecules
Molecule Names and Identifications
Molecule Mass and Weight
Protein and Amino Acid
Nucleobase, Nucleoside, Nucleotide, DNA and RNA
Gene and Chromosome
Protein Kinase (PK)
DNA Sequencing
Gene Mutation
SDF (Structure Data File)
PyMol Installation
PyMol GUI and CLI
PyMol Selections
PyMol Editing Functions
PyMol Measurement Functions
PyMol Movie Functions
PyMol Python Integration
PyMol Object Functions
►ChEMBL Database - European Molecular Biology Laboratory
►What Is ChEMBL
ChEMBL Speical Web Portals
Download ChEMBL Database
ChEMBL FTP Repository
ChEMBL Web Services API
Call ChEMBL Data Web Service Directly
ChEMBL Data Resource - molecule
ChEMBL Data Resource - activity
ChEMBL Data Resource - assay
ChEMBL Data Resource - document
ChEMBL Data Resource - target
ChEMBL Data Resource - chembl_id_lookup
ChEMBL Related Tools
chembl_webresource_client - Python Client
chembl_webresource_client - Usage Examples
chembl_webresource_client - RetryError Exception
ChEMBL Terminologies
PubChem Database - National Library of Medicine
PDB (Protein Data Bank)
INSDC (International Nucleotide Sequence Database Collaboration)
HGNC (HUGO Gene Nomenclature Committee)
Relocated Tutorials
Resources and Tools
Molecule Related Terminologies
References
Full Version in PDF/EPUB