Others titles
- Pharmacology Complete List of Partial Agonists
- Pharmacology Complete List of Antagonist Drugs
- Pharmacology Complete List of Receptor Antagonists
- Pharmacology Complete List of Radioligand Binding Assay
- Pharmacology Complete List of Antagonist Pharmacology
Keywords
- Partial Agonist
- Antagonist Drug
- Agonist and Antagonist
- Receptor Antagonist
- Drug Receptors
- Radioligand Binding Assay
- Types of Drugs and their Effects
- Drug Affinity
- Drug Action
- Antagonist Pharmacology
Pharmacology Complete List of Ligand Molecules
This dataset shows the complete list of ligand molecules from the Guide to PHARMACOLOGY; an online, open-access portal to pharmacological information on all the human targets of prescription drugs, which is the product from the collaboration of the International Union of Basic and Clinical Pharmacology (IUPHAR) and the British Pharmacological Society (BPS).
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Description
The data types captured in this dataset include target nomenclature, pharmacological data, and ligand structures. Organisms isolated in this data are from human, mouse, and rat.
In future versions, the plan is to add resources for education and training in pharmacological principles and techniques along with research guidelines and overviews of key topics. It is the hope of IUPHAR/BPS Guide to PHARMACOLOGY to be useful for researchers and students in pharmacology and drug discovery and provide the general public with accurate information on the basic science underlying drug action.
The information provided in this dataset shows the initial view or landing pages for each target family that provides expert-curated overviews of the key properties and selective ligands and tool compounds available. Additional information can be found also in other databases including Ensembl, UniProt, PubChem, ChEMBL, and DrugBank, as well as curated chemical information and literature citations in PubMed.
In this database, the term “ligand” is used mostly for small molecule-to-large molecule interactions but extends to selected protein-protein interactions such as cytokines-to-receptors or antibodies-to-cytokines. Ligand classification includes synthetic organics, metabolites, endogenous peptides, other peptides including synthetic peptides, natural products, antibodies, inorganics, approved drugs, withdrawn drugs, ligands with INNs, isotopically labeled ligands, PubChem Compound ID (CIDs) as the primary small molecule identifier and PubChem Substance Identifiers (SIDs).
About this Dataset
Data Info
Date Created | 2011 |
---|---|
Last Modified | 2024-03-26 |
Version | 2024.1 |
Update Frequency |
Quarterly |
Temporal Coverage |
N/A |
Spatial Coverage |
N/A |
Source | John Snow Labs; International Union of Basic and Clinical Pharmacology (IUPHAR) and the British Pharmacological Society (BPS) Guide to PHARMACOLOGY; |
Source License URL | |
Source License Requirements |
N/A |
Source Citation |
N/A |
Keywords | Partial Agonist, Antagonist Drug, Agonist and Antagonist, Receptor Antagonist, Drug Receptors, Radioligand Binding Assay, Types of Drugs and their Effects, Drug Affinity, Drug Action, Antagonist Pharmacology |
Other Titles | Pharmacology Complete List of Partial Agonists, Pharmacology Complete List of Antagonist Drugs, Pharmacology Complete List of Receptor Antagonists, Pharmacology Complete List of Radioligand Binding Assay, Pharmacology Complete List of Antagonist Pharmacology |
Data Fields
Name | Description | Type | Constraints |
---|---|---|---|
Ligand_Id | The Guide to Pharmacology (GtP) ligand identifier | integer | level : Nominalrequired : 1 |
Ligand_Name | The name of the ligand wherein the Guide to Pharmacology (GtoPdb) context, the term ‘ligand’ is used mostly for small molecule-to-large molecule interactions but it does extend to selected protein-protein interactions (e.g. cytokines-to-receptors or antibodies-to-cytokines). | string | required : 1 |
Species | (Peptides) The species which endogenously express a particular peptide ligand sequence | string | - |
Chemical_Type | The type of chemical | string | required : 1 |
Is_Approved | The drug is or has in the past been approved for human clinical use by a regulatory agency | boolean | - |
Is_Withdrawn | The drug is no longer approved for its original clinical use in one or more countries | boolean | - |
Is_Labelled | The ligand has been labeled with a chemical group such as a fluorescent tag or unstable isotope | boolean | - |
Is_Radioactive | Ligand has been labeled with a radioactive isotope | boolean | - |
PubChem_Substance_Identifier | The PubChem Substance identifier assigned when we deposited the ligand in PubChem | string | - |
PubChem_Compound_Database | Curated PubChem Compound database link | string | - |
UniProt_Id | (Peptides) The UniProtKB/SwissProt Accession for peptide sequences | string | - |
IUPAC_Name | The International Union of Pure and Applied Chemistry (IUPAC) chemical name. | string | - |
International_Non_Proprietary_Name | The International Non-proprietary Name (INN)assigned by the WHO | string | - |
Synonyms | Commonly used synonyms from the literature. | string | - |
Simplified_Molecular_Input_Line_Entry_System | Specification of the chemical structure in canonical, isomeric Simplified Molecular Input Line Entry System (SMILES) format | string | - |
International_Chemical_Identifier_Key | A hashed version of the full International Chemical Identifier (InChI) designed for easy web searches of chemical compounds | string | - |
International_Chemical_Identifier | A textual identifier for the chemical structure | string | - |
Is_Guide_To_Immuno_Pharmacology_Database | New immune system specific data types (such as processes, cell types and disease) are incorporated. | boolean | - |
Is_Guide_To_Malaria_Pharmacology_Database | Malaria pharmacology content is incorporated. | boolean | - |
Data Preview
Ligand Id | Ligand Name | Species | Chemical Type | Is Approved | Is Withdrawn | Is Labelled | Is Radioactive | PubChem Substance Identifier | PubChem Compound Database | UniProt Id | IUPAC Name | International Non Proprietary Name | Synonyms | Simplified Molecular Input Line Entry System | International Chemical Identifier Key | International Chemical Identifier | Is Guide To Immuno Pharmacology Database | Is Guide To Malaria Pharmacology Database |
6069 | 10,10-difluoro TXA<sub>2</sub> | Synthetic organic | 178102690 | 73755171 | (Z)-7-[(1S,3R,4R,5R)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | CIYZUODQUHAGKZ-SCVXEUJASA-N | InChI=1S/C21H32F2O4/c1-2-3-6-9-16(24)13-12-15-14-18-21(22,23)20(27-18)17(15)10-7-4-5-8-11-19(25)26/h4,7,12-13,15-18,20,24H,2-3,5-6,8-11,14H2,1H3,(H,25,26)/b7-4-,13-12+/t15-,16-,17+,18-,20+/m0/s1 | ||||||||||
13409 | 10-Me-Aplog-1 | Synthetic organic | 496703379 | 60155209 | compound 1 [PMID: 32053979]|compound 5 [PMID: 22625994] | [H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@]([H])(CCCCC4=CC(O)=CC=C4)O3)O2 | SWKUTOXEFLDOID-PYCRRGESSA-N | InChI=1S/C28H40O8/c1-18-23(10-5-4-7-19-8-6-9-20(30)13-19)36-28-16-24(18)34-26(32)15-22(17-29)33-25(31)14-21(35-28)11-12-27(28,2)3/h6,8-9,13,18,21-24,29-30H,4-5,7,10-12,14-17H2,1-3H3/t18-,21-,22-,23-,24+,28-/m1/s1 | ||||||||||
1835 | 10-OBn-7α-F-gingkolide B | Natural product | 135652650 | 73755010 | 10-OBn-7α-F-GB|compound 17 [PMID: 12570381] | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)F)C(C)(C)C | LFVHCLPCEWRXME-CLNXZACASA-N | InChI=1S/C27H29FO10/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1 | ||||||||||
1838 | 10-OBn-epi-ginkgolide C | Natural product | 135652651 | 73755013 | 10-OBn-epi-GC | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C | YPOMAFCMSAKBRX-CLNXZACASA-N | InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1 | ||||||||||
1836 | 10-OBn-ginkgolide B | Natural product | 135652652 | 73755011 | 10-OBn-GB | O=C1OC2C3([C@H]1OCc1ccccc1)C(CC1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)C(C)(C)C | PHJOWQWLQBFEEM-ZTPSGWAGSA-N | InChI=1S/C27H30O10/c1-12-19(29)35-17-16(28)25-15-10-14(23(2,3)4)24(25)18(33-11-13-8-6-5-7-9-13)20(30)36-22(24)37-27(25,21(31)34-15)26(12,17)32/h5-9,12,14-18,22,28,32H,10-11H2,1-4H3/t12?,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1 | ||||||||||
1837 | 10-OBn-ginkgolide C | Natural product | 135652653 | 73755012 | 10-OBn-GC | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C | YPOMAFCMSAKBRX-WULOTIIESA-N | InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17+,18+,22?,24?,25?,26-,27+/m1/s1 | ||||||||||
12425 | 1,10-Phenanthroline | Synthetic organic | 479821216 | 1318 | 1,10-phenanthroline | O-PHE|o-phenanthroline | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | DGEZNRSVGBDHLK-UHFFFAOYSA-N | InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H | |||||||||
5482 | 1-1-1-trichloroethane | Synthetic organic | 178102129 | 6278 | 1,1,1-trichloroethane | methylchloroform | CC(Cl)(Cl)Cl | UOCLXMDMGBRAIB-UHFFFAOYSA-N | InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 | |||||||||
4484 | 11-dehydro-thromboxane B<sub>2</sub> | Metabolite | 135651596 | 5280891 | (Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid | 11-dehydro-TXB2 | CCCCC[C@@H](/C=C/[C@H]1OC(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | KJYIVXDPWBUJBQ-UHHGALCXSA-N | InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1 | |||||||||
5100 | 11-deoxycortisol | Metabolite | 178101793 | 440707 | (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | cortodoxone | 11-deoxycortisone|cortexolone|cortodoxone | OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C | WHBHBVVOGNECLV-OBQKJFGGSA-N | InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |