| URL: | http://nrlist.drugdesign.fr |
| Full name: | Nuclear Receptors Ligands and Structures Benchmarking DataBase |
| Description: | The NRLiSt BDB (Nuclear Receptors Ligands and Structures Benchmarking DataBase) is a non-commercial manually curated benchmarking database dedicated to the Nuclear Receptor(NR) ligands and structures pharmacological profiles. The NRs formed a superfamily of related transcription factors composed of 48 members, divided into seven subfamily (NR0 to NR6). The NRs are involved in a wide range of physiological key functions: growth, differentiation, reproduction, metabolism, electrolytic homeostasis, stress response and immune function... Several commercially-available compounds acting through the activation (agonist) or inhibition (antagonist) of one (or several) NR(s) are currently used. |
| Year founded: | 2014 |
| Last update: | |
| Version: | |
| Accessibility: |
Accessible
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| Country/Region: | France |
| Data type: | |
| Data object: |
NA
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| Keywords: |
| University/Institution: | National Conservatory of Arts and Crafts |
| Address: | Laboratory Genomics, Bioinformatics and Applications, EA 4627, National Conservatory of Arts and Crafts, 292 Rue Saint Martin, 75003 Paris, France |
| City: | |
| Province/State: | |
| Country/Region: | France |
| Contact name (PI/Team): | Jean-François ZAGURY |
| Contact email (PI/Helpdesk): | zagury@cnam.fr |
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NRLiSt BDB, the manually curated nuclear receptors ligands and structures benchmarking database. [PMID: 24666037]
Nuclear receptors (NRs) constitute an important class of drug targets. We created the most exhaustive NR-focused benchmarking database to date, the NRLiSt BDB (NRs ligands and structures benchmarking database). The 9905 compounds and 339 structures of the NRLiSt BDB are ready for structure-based and ligand-based virtual screening. In the present study, we detail the protocol used to generate the NRLiSt BDB and its features. We also give some examples of the errors that we found in ChEMBL that convinced us to manually review all original papers. Since extensive and manually curated experimental data about NR ligands and structures are provided in the NRLiSt BDB, it should become a powerful tool to assess the performance of virtual screening methods on NRs, to assist the understanding of NR's function and modulation, and to support the discovery of new drugs targeting NRs. NRLiSt BDB is freely available online at http://nrlist.drugdesign.fr . |