About
Introduction
CMNPD is a manually curated open access knowledge base dedicated to marine natural products research. The data is extracted from published scientific literature and authoritative databases. CMNPD provides information on chemical entities with various physicochemical and pharmacokinetic properties, standardized biological activity data, systematic taxonomy and geographical distribution of source organisms, and detailed literature citations. It is an integrated platform for structure dereplication of (marine) natural products, discovery of lead compounds, data mining of structure-activity relationships and investigation of chemical ecology. We are committed to providing a freely accessible database for not only professional marine natural product researchers but also the broad scientific community to facilitate drug discovery from the ocean.
Content
Compound name (trivial name and systematic name)
Chemical structure (2D and 3D)
Computed descriptors (SMILES, InChI, InChI Key)
Calculated properties (physicochemical properties and ADMET prediction)
Structural classification based on ClassyFire
Systematic taxonomy of source organisms (kingdom, phylum, class, order, family, genus and species)
Sampling location (geographic region and coordinates)
Biological activities (pharmacological effects, targets, binding constants, etc.)
Spectral Information (IR, MS, NMR, UV/VIS, etc.)
Document citations (scientific literature and patent)
External links to ChEMBL and PubChem
Statistics
Data collection
Live count
Description
Compounds
31 561
Unique chemical structures
Organisms
3 354
Source organisms by species level
Targets
2 652
Targets classified according to ChEMBL category
Bioactivities
72 349
Biological activity data
Documents
128 488
Scientific literature and patents
Affiliation
Interface Developer
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