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Research data supporting "A fragment profiling approach to inhibitors of the orphan M. tuberculosis P450 CYP144A1"

Repository URI

https://www.repository.cam.ac.uk/handle/1810/262049

Repository DOI

https://doi.org/10.17863/CAM.7283

Files

Compound 1_Hbonding.pdb (488.89 KB)
Compound 2_MetalBind_cdx.pdb (487.92 KB)
Compound 3_water.pdb (488.44 KB)
EPR_CYP144A1_Compounds 1-3.csv (44.26 KB)
EPR_CYP144A1_Fragments 4 5 clotrimazole.csv (44.25 KB)

Type

Dataset

Change log

Authors

Kavanagh, ME 
Chenge, J 
Zoufir, A 
McLean, KJ 
Coyne, AG 
Show 3 more

Description

Fragment-based approaches to targeting CYP144 from Mycobacterium tuberculosis

Version

Software / Usage instructions

Excel Adobe Acrobat Pymol

Keywords

Fragment based drug discovery, CYP144, Inhibitors, Biophysics

Publisher

Rights

Attribution 4.0 International (CC BY 4.0) Repository logo
Sponsorship
Biotechnology and Biological Sciences Research Council (BB/I019669/1)

Collections

Research Data - Chemistry
Symplectic mapped items for data match