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BioLiP

PDB CCD ID: 8NE
Number of entries in BioLiP: 2
Chemical formula: C8 H8 F3 N2
InChI: InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1
InChIKey: XFLGYXVBXUAGQV-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=[NH2+])N)C(F)(F)F
CACTVS 3.385NC(=[NH2+])c1ccc(cc1)C(F)(F)F
Name:[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
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)(download the PDF file).
  • 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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