-------------------------- GENERAL INFORMATION -------------------------- 1. Title of dataset: Molecular docking studies of ortho-substituted phenols to tyrosinase helps discern if a molecule can be an enzyme substrate. 2. Author information: [Fill in information for each author] Name: Maria F. Montenegro Institution: GENZ-Group of Research on Enzymology, Department of Biochemistry and Molecular Biology-A, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, 30100 Murcia, Spain Email: fermontenegro@um.es ORCID: 0000-0002-0064-0484 Name: Jose A. Teruel Institution: Department of Biochemistry and Molecular Biology-A, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, 30100 Murcia, Spain Email: teruel@um.es ORCID: 0000-0003-2256-3368 Name: Pablo Garcia-Molina Institution: GENZ-Group of Research on Enzymology, Department of Biochemistry and Molecular Biology-A, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, 30100 Murcia, Spain Email: pablo.garcia14@um.es ORCID: 0000-0002-3809-7712 Name: Jose Tudela-Serrano Institution: GENZ-Group of Research on Enzymology, Department of Biochemistry and Molecular Biology-A, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, 30100 Murcia, Spain Email: tudelaj@um.es ORCID: 0000-0002-5528-4296 FAIR: FAIR dataset exportation, curation, formats, deposit in open and institutional repositories Name: Jose Neptuno Rodriguez-Lopez Institution: GENZ-Group of Research on Enzymology, Department of Biochemistry and Molecular Biology-A, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, 30100 Murcia, Spain Email: neptuno@um.es ORCID: 0000-0001-6863-1173 Name: Francisco Garcia-Canovas Institution: GENZ-Group of Research on Enzymology, Department of Biochemistry and Molecular Biology-A, Regional Campus of International Excellence “Campus Mare Nostrum”, University of Murcia, 30100 Murcia, Spain Email: canovasf@um.es ORCID: 0000-0002-8869-067X Correspondence: Corresponding author Name: Francisco Garcia-Molina Institution: Department of Anatomía Patológica, Hospital General Universitario Reina Sofía, Av. Intendente Jorge Palacios, 1, 30003 Murcia, Spain Email: pacogm@um.es ORCID: 0000-0003-4481-7568 3. Date of data collection (single date or date range): 2024-05-20 [YYYY-MM-DD] 4. Deposit date: 2025-04-21 [YYYY-MM-DD] 5. Language: English -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1.Description of the methodology used to generate the dataset. Methodology described in the published article: https://doi.org/10.3390/ijms25136891 2. Software or tools needed to interpret the data. [Include the version of the software. If specific software with restricted access is required, explain how to obtain it. Assess whether it is possible to change the dataset to an open format (recommended)]. Software detailed in the published article: https://doi.org/10.3390/ijms25136891 FAIR dataset exported to preferred open formats: https://howtofair.dk/how-to-fair/file-formats/ FAIR dataset checkers: https://www.um.es/web/biblioteca/investigar-publicar/gestion-de-datos-de-investigacion/ayuda/otros-recursos 3. Procedures followed for data quality assurance. Experimental data obtained from at least triplicate assays. -------------------------- FILES -------------------------- 1. File name: [List all the files included in the dataset, with the name and extension of each file (.csv, .pdf, etc.)]. ijms25136891_Dataset_Readme.txt ijms25136891_GraphicalAbstract.tif ijms25136891_Figure1.tif ijms25136891_Figure2A.tif ijms25136891_Figure2B.tif ijms25136891_Figure3.tif ijms25136891_Figure4.tif ijms25136891_Figure5.tif ijms25136891_Figure6.tif ijms25136891_Figure7.tif ijms25136891_Figure8.tif ijms25136891_Scheme1.tif ijms25136891_Scheme2.tif ijms25136891_Scheme3.tif ijms25136891_Scheme4.tif ijms25136891_Scheme5.tif ijms25136891_Table1.csv ijms25136891_Table2.csv 2. File format: https://www.um.es/web/biblioteca/investigar-publicar/gestion-de-datos-de-investigacion/comparte-tus-datos/formatos TIF: preferred open image format. CSV UTF-8: preferred open tabulated data format. -------------------------- KEYWORDS -------------------------- 1. keywords: tyrosinase, substrates, inhibitors, ortho-substituted phenols, molecular docking ------------------------------------- SPONSORSHIP INFORMATION AND GRANT IDs ------------------------------------- 1. Grant Information: This work was partially supported by grants from Fundacion Seneca, Region of Murcia (FS-RM) (20809/PI/18, 20961/PI/18), Murcia, Spain. -------------------------- RELATED PUBLICATIONS -------------------------- 1. Related publication: https://doi.org/10.3390/ijms25136891 Molecular docking studies of ortho-substituted phenols to tyrosinase helps discern if a molecule can be an enzyme substrate Int. J. Mol. Sci. 2024, 25, 6891. 2. Related dataset: -------------------------- LICENSES AND PRIVACITY -------------------------- 1. Licenses: https://creativecommons.org/licenses/by-nc-nd/4.0/ 2. Privacity: CC BY NC ND -------------------------- MORE INFO -------------------------- [Include any other information about the data set that is not reflected in this template and that is considered relevant.]