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scripts/Data/psi-mi.obo  view on Meta::CPAN

synonym: "Strep (II)" EXACT PSI-MI-alternate []
synonym: "Strep II" EXACT PSI-MI-alternate []
is_a: MI:0507 ! tag

[Term]
id: MI:0963
name: interactome parallel affinity capture
def: "A specific pull down method where the protein of interest (bait) is endogenously expressed with at least two affinity tags (GFP, FLAG or others). The bait is purified in parallel using different purification protocols in contrast to tandem affi...
synonym: "ipac" EXACT PSI-MI-short []
is_a: MI:0096 ! pull down
created_by: orchard
creation_date: 2009-05-14T10:56:21Z

[Term]
id: MI:2002
name: drugbank
def: "DrugBank Accession number consisting of the 4 letter prefix and a 5 number suffix. Each Accession number is unique to the drug's generic name. The 4 letter suffix (APRD, EXPT, BIOD, NUTR) indicates the type of drug (APRD=approved small molecule...
subset: Drugable
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2003
name: commercial name
def: "Standard name of drug or any reagent as provided by its manufacturer." [PMID:14755292]
subset: Drugable
synonym: "generic name" EXACT PSI-MI-alternate []
is_a: MI:0300 ! alias type

[Term]
id: MI:2004
name: drug brand name
def: "Alternate names of the drug, brand names from different manufacturers." [PMID:14755292]
subset: Drugable
is_a: MI:0300 ! alias type

[Term]
id: MI:2005
name: drug mixture brand name
def: "Brand names and composition of mixtures that include the drug described in this DrugCard file." [PMID:14755292]
subset: Drugable
synonym: "mix brand name" EXACT PSI-MI-short []
is_a: MI:0300 ! alias type

[Term]
id: MI:2006
name: biotech product preparation
def: "Description of the drug (for biotech drugs) describing its composition and/or preparation." [PMID:14755292]
subset: Drugable
synonym: "biotech prep" EXACT PSI-MI-short []
is_a: MI:2089 ! bioactive entity attribute name

[Term]
id: MI:2007
name: iupac name
def: "IUPAC or standard chemical name for a drug, or a chemical." [PMID:14755292]
subset: Drugable
is_a: MI:0300 ! alias type

[Term]
id: MI:2008
name: chemical formula
def: "Chemical formula describing atomic or elemental composition" [PMID:14755292]
subset: Drugable
is_a: MI:2086 ! physicochemical attribute name

[Term]
id: MI:2009
name: chemical structure
def: "Image of the drug structure (if small molecule) or its sequence (if biotech drug)" [PMID:14755292]
subset: Drugable
is_a: MI:2086 ! physicochemical attribute name

[Term]
id: MI:2010
name: inchi id
def: "IUPAC approved InCHI identifier" [PMID:14755292]
subset: Drugable
is_a: MI:2091 ! structure representation attribute name

[Term]
id: MI:2011
name: cas registry number
def: "Chemical Abstract Service identification number" [PMID:14755292]
subset: Drugable
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2012
name: kegg compound
def: "Kyoto Encyclopedia of Genes and Genomes compound identification number (if molecule is in KEGG)" [PMID:14755292]
subset: Drugable
synonym: "KEGG Compound ID" EXACT PSI-MI-alternate []
is_a: MI:0470 ! kegg

[Term]
id: MI:2013
name: pubchem
def: "NCBI's PubChem database identification number (if molecule is in PubChem).\nOBSOLETE as redudant with MI:0730" [PMID:14755292]
subset: Drugable
synonym: "PubChem ID" EXACT PSI-MI-alternate []
is_obsolete: true

[Term]
id: MI:2015
name: pharmgkb
def: "Pharmacogenomics Knowledge Base identification number (if molecule is in PharmGKB)" [PMID:14755292]
subset: Drugable
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2016
name: bind smid
def: "BIND database Small Molecule Identification number (if molecule is in BIND)" [PMID:14755292]
comment: May not be publicly available any more since now owned by Thompson Scientific.
subset: Drugable
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2017
name: heterogen
def: "The HET records are used to describe non-standard residues, such as prosthetic groups, inhibitors, solvent molecules, and ions for\nwhich coordinates are supplied. Groups are considered HET if they are: \n- not one of the standard amino acids, ...
subset: Drugable
synonym: "het" EXACT PSI-MI-short []
is_a: MI:0460 ! rcsb pdb
is_a: MI:0472 ! pdbe
is_a: MI:0806 ! pdbj

[Term]
id: MI:2020
name: canadian drug identification number
def: "Drug Identification Number (Canadian Drug ID system)" [PMID:14755292]
subset: Drugable
synonym: "din" EXACT PSI-MI-short []
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2021
name: rxlist link
def: "Hyperlink to RxList entry for the given drug (if it exists)" [PMID:14755292]
subset: Drugable
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2023
name: material safety data sheet
def: "Material Safety Data Sheet (if it exists). A Material Safety Data Sheet (MSDS) is designed to provide both workers and emergency personnel with the proper procedures for handling or working with a particular substance. MSDS's include informatio...
subset: Drugable
synonym: "msds" EXACT PSI-MI-short []
synonym: "MSDS Material Safety Sheet" EXACT PSI-MI-alternate []
is_a: MI:2086 ! physicochemical attribute name

[Term]
id: MI:2024
name: patent number
def: "number of the patent describing a drug's synthesis or use." [PMID:14755292]
subset: Drugable
is_a: MI:0353 ! cross-reference type

[Term]
id: MI:2025
name: molecular weight
def: "Molecular weight in g/mol, determined from molecular formula or sequence." [PMID:14755292]
subset: Drugable
is_a: MI:0640 ! parameter type

[Term]
id: MI:2026
name: melting point
def: "The melting point of a solid is the temperature range at which it changes state from solid to liquid." [PMID:14755292]
subset: Drugable
is_a: MI:0640 ! parameter type

[Term]
id: MI:2027
name: water solubility
def: "Water solubility in mg/mL or g/L" [PMID:14755292]
subset: Drugable
synonym: "logSw" EXACT PSI-MI-alternate []
is_a: MI:2160 ! logs

[Term]
id: MI:2029
name: logp
def: "Water/octanol partition coefficient  of a small molecule." [PMID:14755292]
subset: Drugable
is_a: MI:0640 ! parameter type

[Term]
id: MI:2030
name: isoelectric point
def: "The isoelectric point (pI) is the pH at which a particular molecule or surface carries no net electrical charge. For an amino acid with only one amine and one carboxyl group, the pI can be calculated from the pKas of this molecule." [PMID:14755...
subset: Drugable
is_a: MI:0640 ! parameter type

[Term]
id: MI:2033
name: hydrophobicity
def: "Physical property of a molecule (known as a hydrophobe) that is repelled from a mass of water. Gravy score." [PMID:14755292]
subset: Drugable
is_a: MI:0640 ! parameter type

[Term]
id: MI:2036
name: boiling point
def: "The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. A liquid in a vacuum environment has a lower boiling point than when the liquid is at atmospher...
subset: Drugable
is_a: MI:0640 ! parameter type

[Term]
id: MI:2039
name: smiles string
def: "SMILES string corresponding to drug structure" [PMID:14755292]
subset: Drugable
is_a: MI:2091 ! structure representation attribute name

[Term]
id: MI:2040
name: drug type
def: "Type of drug (approved, experimental, biotech, nutraceutical)" [PMID:14755292]
subset: Drugable
is_a: MI:2089 ! bioactive entity attribute name

scripts/Data/psi-mi.obo  view on Meta::CPAN

synonym: "chem stab ph 7.4" EXACT PSI-MI-short []
is_a: MI:2055 ! chemical stability

[Term]
id: MI:2148
name: investigational drug
def: "A drug currently under clinical development." [PMID:14755292]
comment: Intact.
subset: Drugable
is_a: MI:2040 ! drug type

[Term]
id: MI:2149
name: withdrawn drug
def: "A drug for which the licencing for prescriptive use has been withdrawn." [PMID:14755292]
comment: Intact.
subset: Drugable
is_a: MI:2040 ! drug type

[Term]
id: MI:2150
name: illicit drug
def: "A drug which has not been approved for sale, a drug taken for recreational purposes or a licensed drug sold without a prescription." [PMID:14755292]
subset: Drugable
is_a: MI:2040 ! drug type

[Term]
id: MI:2151
name: other drug interaction
def: "Effect of additional drug treatments on a given drug action." [PMID:14755292]
subset: Drugable
synonym: "drug interaction" EXACT PSI-MI-short []
is_a: MI:2089 ! bioactive entity attribute name

[Term]
id: MI:2152
name: food interaction
def: "Effect of food ingestion on a given drug treatment." [PMID:14755292]
comment: IntAct MeSH term or SNOWMAN.
subset: Drugable
is_a: MI:2089 ! bioactive entity attribute name

[Term]
id: MI:2153
name: pdr health
def: "Hyperlink to PDRhealth entry for the given drug (if it exists)" [PMID:14755292]
subset: Drugable
synonym: "PDRhealth" EXACT PSI-MI-alternate []
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2154
name: wikipedia
def: "Hyperlink to wikipedia entry for the given drug (if it exists)" [PMID:14755292]
subset: Drugable
is_a: MI:2054 ! bioactive entity reference

[Term]
id: MI:2155
name: average molecular weight
def: "Molecular weight in g/mol, determined from molecular formula or sequence." [PMID:14755292]
subset: Drugable
synonym: "avrg mol weight" EXACT PSI-MI-short []
is_a: MI:2025 ! molecular weight

[Term]
id: MI:2156
name: monoisotopic molecular weight
def: "Molecular weight in g/mol, determined from molecular formula or sequence." [PMID:14755292]
subset: Drugable
synonym: "monoisotopic mol wgt" EXACT PSI-MI-short []
is_a: MI:2025 ! molecular weight

[Term]
id: MI:2157
name: experimental water solubility
def: "Water solubility in mg/mL or g/L." [PMID:14755292]
subset: Drugable
synonym: "exp h2o solubilty" EXACT PSI-MI-short []
synonym: "experimental h2o solubility" EXACT PSI-MI-alternate []
is_a: MI:2027 ! water solubility
is_a: MI:2161 ! experimental logs

[Term]
id: MI:2158
name: predicted water solubility
def: "Water solubility in mg/mL or g/L" [PMID:14755292]
subset: Drugable
synonym: "predicted h2o solub" EXACT PSI-MI-short []
synonym: "predicted h2o solubility" EXACT PSI-MI-alternate []
is_a: MI:2027 ! water solubility

[Term]
id: MI:2160
name: logs
def: "Solubility of a molecule in a given solvant." [PMID:14755292]
subset: Drugable
synonym: "logS" EXACT PSI-MI-alternate []
is_a: MI:0640 ! parameter type

[Term]
id: MI:2161
name: experimental logs
def: "Experimental derived value for the solubility of a molecule in a given solvant." [PMID:14755292]
comment: Quantitative prediction of this parameter is possible.
subset: Drugable
synonym: "experimental logS" EXACT PSI-MI-alternate []
is_a: MI:2160 ! logs

[Term]
id: MI:2162
name: experimental CaCO2 permeability
def: "Experimentally derived value for ability of a  compound to cross epithelial and endothelial cell barriers Using the CaCo2 cell line derived from a human colorectal adenocarcinoma. Used as an in vitro permeability models to predict human intesti...
comment: Quantitative prediction of this parameter is possible.
subset: Drugable
synonym: "caco2 permeability" EXACT PSI-MI-short []
is_a: MI:0640 ! parameter type

[Term]
id: MI:2163
name: by homology
def: "Reference assigned to a molecule by sequence homology with another similar sequence." [PMID:14755292]
subset: Drugable
is_a: MI:0353 ! cross-reference type

[Typedef]
id: part_of
name: part of
is_transitive: true