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BioLiP

PDB CCD ID: 3B0
Number of entries in BioLiP: 1
Chemical formula: C6 H5 F3 N2
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)
InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(cn1)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cnc(N)cc1
OpenEye OEToolkits 1.9.2c1cc(ncc1C(F)(F)F)N
Name:5-(trifluoromethyl)pyridin-2-amine
ZINC: ZINC000019735095
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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