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BioLiP

PDB CCD ID: YL8
Number of entries in BioLiP: 2
Chemical formula: C9 H4 F6 N4
InChI: InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChIKey: KKJFZIQEWZVVIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2n[nH]nn2
CACTVS 3.385FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2n[nH]nn2
ACDLabs 12.01FC(F)(F)c1cc(cc(c1)c1n[NH]nn1)C(F)(F)F
Name:5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
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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