IUPHAR/BPS Guide to PHARMACOLOGY (GtP) downloadable file descriptions Notes: 1. All files contain the database version number and release data on the first line. Preceeded by a '#'. 2. Files are in comma separated values (CSV) format 3. Fields containing multiple values are separated by | ######################## targets_and_families.csv ######################## Type The target class Family id The GtP family identifier Family name The GtP family name Target id The GtP target identifier Target name The GtP target name, usually the IUPHAR recommended name or a provisional name (for information on target nomenclature see the online help documentation) Subunits The names of any subunits that make up a multimeric protein Target systematic name A systematic name associated with the target Target abbreviated name A commonly used abbreviation of the target name synonyms Other names commonly used in the literature HGNC id The HUGO Gene Nomenclature Committee (HGNC) gene identifier HGNC symbol The HGNC gene symbol HGNC name The HGNC gene name Human genetic localisation The genetic location of the encoding gene in human Human nucleotide RefSeq The RefSeq identifier for the human mRNA sequence Human protein RefSeq The RefSeq identifier for the human protein sequence Human SwissProt The UniProtKB/SwissProt Accession for the human protein sequence Human Entrez Gene The human Entrez Gene identifier Human Ensembl Gene The human Ensembl Gene identifier RGD id The Rat Genome Database (RGD) gene identifier RGD symbol The RGD gene symbol RGD name The RGD gene name Rat genetic localisation The genetic location of the encoding gene in rat Rat nucleotide RefSeq The RefSeq identifier for the rat mRNA sequence Rat protein RefSeq The RefSeq identifier for the rat protein sequence Rat SwissProt The UniProtKB/SwissProt Accession for the rat protein sequence Rat Entrez Gene The rat Entrez Gene identifier Rat Ensembl Gene The rat Ensembl Gene identifier MGI id The Mouse Genome Informatics (MGI) gene identifier MGI symbol The MGI gene symbol MGI name The MGI gene name Mouse genetic localisation The genetic location of the encoding gene in mouse Mouse nucleotide RefSeq The RefSeq identifier for the mouse mRNA sequence Mouse protein RefSeq The RefSeq identifier for the mouse protein sequence Mouse SwissProt The UniProtKB/SwissProt Accession for the mouse protein sequence Mouse Entrez Gene The mouse Entrez Gene identifier Mouse Ensembl Gene The mouse Ensembl Gene identifier ########### ligands.csv ########### Ligand id The GtP ligand identifier Name The name of the ligand Species (Peptides) The species which endogenously express a particular peptide ligand sequence Type The type of chemical Approved The drug is or has in the past been approved for human clinical use by a regulatory agency Withdrawn The drug is no longer approved for its original clinical use in one or more countries Labelled The ligand has been labelled with a chemical group such as a fluorscent tag or unstable isotope Radioactive Ligand has been labelled with radioactive isotope PubChem SID The PubChem Substance identifier assigned when we deposited the ligand in PubChem PubChem CID Our curated PubChem Compound database link UniProt IDs (Peptides) The UniProtKB/SwissProt Accession for peptide sequences Ensembl IDs (Peptides) The Ensembl ID for peptide sequences Ligand Subunit ID The GtP ligand subunit identifiers Ligand Subunit Name The name of the ligand subunits Ligand Subunit UniProt IDs The UniProtKB/SwissProt Accession for ligand subunits (Format: (Subunit ID:Uniprot ID))) Ligand Subunit Ensembl IDs The ligand subunit Ensembl Gene identifier (Format: (Subunit ID:Ensembl ID))) IUPAC name The IUPAC chemical name INN The International Non-proprietary Name assigned by the WHO Synonyms Commonly used synonyms from the literature SMILES Specification of the chemical structure in canonical, isomeric SMILES format InChIKey A hashed version of the full InChI designed for easy web searches of chemical compounds InChI A textual identifier for the chemical structure GtoImmuPdb Ligand is tagged in Guide to Immunopharmacology GtoMPdb Ligand is tagged in Guide to Malaria Pharmacology Antibacterial Tagged as an antibacterial ligand ##################### ligand_id_mapping.csv ##################### Ligand id The GtP ligand identifier Name The name of the ligand Species (Peptides) The species which endogenously express a particular peptide ligand sequence Type The type of chemical PubChem SID The PubChem Substance identifier assigned when we deposited the ligand in PubChem PubChem CID Our curated PubChem Compound database link ChEMBL ID ChEMBL Compound ID ChEBI ID ChEBI Molecule ID UniProt id (Peptides) The UniProtKB/SwissProt Accession for peptide sequences Ensembl id (Peptides) The Ensembl ID for peptide sequences IUPAC name The IUPAC chemical name INN The International Non-proprietary Name assigned by the WHO CAS CAS Registry Number DrugBank ID DrugBank Accession ID DrugCentral ID DrugCentral Drug ID ##################### ligand_physchem_properties.csv ##################### Ligand id The GtP ligand identifier Name The name of the ligand HBond Acceptors Hydrogen bond acceptors HBod Donors Hydrogen bond donors Rotatable Bonds Rotable bonds TPSA Topological polar surface area Mol Weight Molecular weight XLogP XLogP Lipinski RO5 Lipinski's rule of five (RO5) ###################### endogenous_ligand_pairings.csv ###################### Ligand id The GtP ligand identifier Ligand Name The name of the ligand Ligand Type The type of chemical Ligand Species The name of the ligand species (if peptide) Ligand UniProt ID The ligand(presursor) UniProtKB accession(s) (can be multiple for multiple species) Ligand Ensembl Gene ID The Ensembl gene ID(s) of the ligand(presursor) Ligand Subunit ID The GtP ligand subunit identifier (multiple subunits separated by a pipe '|') Ligand Subunit Name The name of the ligand subunit (multiple subunits separated by a pipe '|') Ligand Subunit UniProt IDs The UniProtKB/SwissProt Accession for peptide subunit sequences (multiple subunits separated by a pipe '|') Ligand Subunit Ensembl IDs The ligand subunit Ensembl Gene identifier (multiple subunits separated by a pipe '|') Target ID The GtP target identifier Target Name The GtP target name (for information on target nomenclature see the online help documentation) Target UniProt ID The target's UniProtKB accession Target Ensembl Gene ID The Ensembl gene ID of the target Target Subunit ID Target subunit GtoPdb ID (multiple subunits separated by a pipe '|') Target Subunit Name Target subunit name (multiple subunits separated by a pipe '|') Target Subunit UniProt IDs The UniProtKB/SwissProt Accession for target subunit (multiple subunits separated by a pipe '|') Target Subunit Ensembl IDs The Ensembl Gene identifier for target subunit (multiple subunits separated by a pipe '|') Rank Potency Potency order of endogenous ligands List Comment Natural/Endogenous ligands curator comments ############################### detailed_endogenous_ligands.csv ############################### Ligand ID The GtP ligand identifier Ligand Name The name of the ligand Ligand Type The type of chemical Ligand UniProt IDs The UniProtKB/SwissProt Accession for peptide sequences Ligand Ensembl Gene ID The ligand Ensembl Gene identifier Ligand Subunit ID The GtP ligand subunit identifier Ligand Subunit Name The name of the ligand subunit Ligand Subunit UniProt IDs The UniProtKB/SwissProt Accession for peptide subunit sequences Ligand Subunit Ensembl IDs The ligand subunit Ensembl Gene identifier Target ID The GtP target identifier Target Name The GtP target name, usually the IUPHAR recommended name or a provisional name (for information on target nomenclature see the online help documentation) Target UniProt ID The UniProtKB/SwissProt Accession for target Target Ensembl Gene ID The Ensembl Gene identifier for target Target Subunit ID Target subunit GtoPdb ID Target Subunit Name Target subunit name Target Subunit UniProt IDs The UniProtKB/SwissProt Accession for target subunit Target Subunit Ensembl IDs The Ensembl Gene identifier for target subunit Natural/Endogenous Ligand Comments Ligand comments RankPotency Rank potency of ligand Interaction Species Species for the interation Parameter Affinity/potency units Value Affinity/potency value PubMed IDs Pubmed references for interaction ###################### endogenous_ligands.csv ###################### Ligand id The GtP ligand identifier Ligand Name The name of the ligand Ligand UniProt ID The ligand(presursor) UniProtKB accession(s) (can be multiple for multiple species) Ligand Ensembl Gene ID The Ensembl gene ID(s) of the ligand(presursor) Target ID The GtP target identifier Target Name The GtP target name (for information on target nomenclature see the online help documentation) Target UniProt ID The target's UniProtKB accession Target Ensembl Gene ID The Ensembl gene ID of the target ############################################# approved_drup_primary_target_interactions.csv ############################################# ligand The name of the ligand ligand_id The GtP ligand identifier target The GtP target name, usually the IUPHAR recommended name or a provisional name (for information on target nomenclature see the online help documentation) target_id The GtP target identifier target_ligand The name of a GtP ligand which in this case is actually the target of the interaction target_ligand_id The identifier of the ligand which in this case is the target of the interaction target_species The name of the target species type The type of chemical (ligand) ########### peptides.csv ########### Ligand id The GtP ligand identifier Name The name of the ligand Species The species which endogenously express a particular peptide ligand sequence Type Either endogenous (in human, mouse or rat) or other (in other species or synthetic) peptide Subunit ids The GtP ligand identifiers of any subunit polypeptides Subunit names The name of any subunit polypeptides Approved A version of this peptide (possibly produced synthetically) is or has in the past been approved for human clinical use by a regulatory agency Withdrawn The drug is no longer approved for its original clinical use in one or more countries Labelled The peptide has been labelled with a chemical group such as a fluorscent tag or unstable isotope Radioactive Has been labelled with radioactive isotope PubChem SID The PubChem Substance identifier assigned when we deposited the ligand in PubChem PubChem CID Our curated PubChem Compound database link UniProt id The UniProtKB/SwissProt Accession for the (parent) peptide sequence Ensembl id The Ensembl Gene ID for the (parent) peptide sequence Subunit UniProt id The UniProtKB/SwissProt Accession for any subunit polypeptides Subunit Ensembl id The Ensembl Gene ID for any subunit polypeptides INN The International Non-proprietary Name assigned by the WHO Single letter amino acid sequence Single letter amino acid representation of the sequence Three letter amino acid sequence Three letter amino acid representation of the sequence, including non-standard amino acids and chemical groups Post-translational modification Details of any post-translational modifications for endogenous peptides Chemical modification Details of any chemical groups or modifications for synthetic peptides SMILES For some peptides, the chemical structure is also given in canonical, isomeric SMILES format InChIKey A hashed version of the full InChI designed for easy web searches of chemical compounds ################ interactions.csv ################ target The GtP target name (for information on target nomenclature see the online help documentation) target_id The GtP target identifier target_subunit_ids The GtP identifier of target subunits target_gene_symbol The target gene symbol target_uniprot The target's UniProtKB accession target_ensembl_gene_id The Ensembl gene ID of the target target_ligand The name of a GtP ligand which in this case is actually the target of the interaction target_ligand_id The identifier of the ligand which in this case is the target of the interaction target_ligand_subunit_ids The GtP identifier of target ligand subunits target_ligand_gene_symbol The gene symbol of the target ligand (for peptides) target_ligand_uniprot The target ligand's UniProtKB accession (if endogenous peptide) target_ligand_ensembl_gene_id The target ligand's Ensembl gene ID (if endogenous peptide) target_ligand_pubchem_sid The target ligand's PubChem Substance ID target_species The name of the target species ligand The name of the GtP ligand ligand_id The GtP ligand identifier ligand_gene_symbol The ligand gene symbol (if endogenous peptide) ligand_species The name of the ligand species (if peptide) ligand_pubchem_sid The ligand's PubChem Substance ID approved_drug Ligand is an approved drug type Type of interaction action Specific action of the ligand action_comment Further details or qualifiers for the ligand action at the target selectivity Indicates if the ligand/compound is selective for the target (Selective), Non-Selective or Family-Selective (refers to compounds that distinguish a family of targets from any other group of targets). Not Determined indicates either insufficient data to identify selectivity or that this has not been examined. endogenous Boolean; true if the ligand is endogenous in the target organism under study primary_target Boolean; true if the target can be considered the primary target of the ligand concentration_range The micromolar concentration range of ligand used in the study (primarily given when affinity data are not available) affinity_parameter The negative logarithm to base 10 of the experimental parameter measured affinity_high If there is a range of activity values, this would be the highest negative logarithm to base 10 value affinity_median This is either the median or a single negative logarithm to base 10 affinity value affinity_low If there is a range of activity values, this would be the lowest negative logarithm to base 10 value original_affinity_units The experimental parameter measured in the study e.g. IC50 original_affinity_low_nm The lowest nM activity value recorded in the study original_affinity_median_nm Either the median or a single nM activity value original_affinity_high_nm The greatest nM activity value recorded in the study original_affinity_relation A qualifier for the activity value, e.g. >, <, = assay_description Further details captured about the assay receptor_site A specific binding site on the target to which the ligand binds ligand_context If the ligand is context-dependent e.g. intracellular, this is indicated pubmed_id PubMed ids for cited publications ####################### GtP_to_HGNC_mapping.csv ####################### hgnc_symbol The HUGO Gene Nomenclature Committee (HGNC) gene symbol hgnc_id The HUGO Gene Nomenclature Committee (HGNC) gene identifier iuphar_name The GtP target name, usually the IUPHAR recommended name or a provisional name (for information on target nomenclature see the online help documentation) iuphar_id The GtP target identifier gtp_url The GtP target page URL ####################### GtP_to_HGNC_mapping.csv ####################### uniprot_id The UniProtKB/SwissProt Accession for the protein sequence species The common name of the species iuphar_name The GtP target name, usually the IUPHAR recommended name or a provisional name (for information on target nomenclature see the online help documentation) iuphar_id The GtP target identifier gtp_url The GtP target page URL