TY  - JOUR
N1  - Open Access
ID  - open1796
UR  - http://database.oxfordjournals.org/content/2015/bav112.long
A1  - Nanduri, Ravikanth
A1  - Bhutani, Isha
A1  - Somavarapu, Arun Kumar
A1  - Mahajan, Sahil
A1  - Parkesh, Raman
A1  - Gupta, Pawan
Y1  - 2015///
N2  - Orphan nuclear receptors are potential therapeutic targets. The Orphan Nuclear Receptor Ligand Binding Database (ONRLDB) is an interactive, comprehensive and manually curated database of small molecule ligands targeting orphan nuclear receptors. Currently, ONRLDB consists of ?11 000 ligands, of which ?6500 are unique. All entries include information for the ligand, such as EC50 and IC50, number of aromatic rings and rotatable bonds, XlogP, hydrogen donor and acceptor count, molecular weight (MW) and structure. ONRLDB is a cross-platform database, where either the cognate small molecule modulators of a receptor or the cognate receptors to a ligand can be searched. The database can be searched using three methods: text search, advanced search or similarity search. Substructure search, cataloguing tools, and clustering tools can be used to perform advanced analysis of the ligand based on chemical similarity fingerprints, hierarchical clustering, binning partition and multidimensional scaling. These tools, together with the Tree function provided, deliver an interactive platform and a comprehensive resource for identification of common and unique scaffolds. As demonstrated, ONRLDB is designed to allow selection of ligands based on various properties and for designing novel ligands or to improve the existing ones.Database URL: http://www.onrldb.org/.
PB  - Oxford University press
JF  - Database : the journal of biological databases and curation
VL  - 2015
KW  - Drug Discovery; database; bioinformatics
SN  - 1758-0463
TI  - ONRLDB-manually curated database of experimentally validated ligands for orphan nuclear receptors: insights into new drug discovery.
ER  -