appears_in: []
depends_on: []
deprecated: false
description: LigandBox is a database of 3D compound structures.  Compound information
  is collected from the catalogues of various commercial suppliers, with approved
  drugs and biochemical compounds taken from KEGG and PDB databases. Each chemical
  compound in the database has several 3D conformers with hydrogen atoms and atomic
  charges, which are ready to be docked into receptors using docking programs. Various
  physical properties, such as aqueous solubility (LogS) and carcinogenicity have
  also been calculated to characterize the ADME-Tox properties of the compounds.
example: D00001
example_extras: []
homepage: http://www.mypresto5.com/ligandbox/cgi-bin/index.cgi?LANG=en
keywords:
- 3d structure
- chemical compound
- protein
- small molecule
- structure
mappings:
  biocontext: LIGANDBOX
  integbio: nbdc00551
  miriam: ligandbox
  n2t: ligandbox
  prefixcommons: ligandbox
name: LigandBox
namespace_in_lui: false
pattern: ^(HTS|KSH)[0-9]{4}-[0-9]{8}|PDB_[0-9,A-Z]{2,3}|[CD][0-9]{5}$
preferred_prefix: ligandbox
prefix: ligandbox
providers:
- code: bio2rdf
  description: Bio2RDF is an open-source project that uses Semantic Web technologies
    to build and provide the largest network of Linked Data for the Life Sciences.
    Bio2RDF defines a set of simple conventions to create RDF(S) compatible Linked
    Data from a diverse set of heterogeneously formatted sources obtained from multiple
    data providers.
  homepage: https://bio2rdf.org
  name: Bio2RDF
  uri_format: http://bio2rdf.org/ligandbox:$1
publications:
- pubmed: '27493549'
synonyms: []
uri_format: http://www.mypresto5.com/ligandbox/cgi-bin/liginf.cgi?id=$1
