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BioLiP

PDB CCD ID: QBP
Number of entries in BioLiP: 1
Chemical formula: C8 H5 F3 N4
InChI: InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKey: CCVCHQBLMDMSNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2[nH]nnn2)C(F)(F)F
CACTVS 3.385FC(F)(F)c1ccc(cc1)c2[nH]nnn2
ACDLabs 12.01C(F)(F)(c2ccc(c1nnnn1)cc2)F
Name:5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
ZINC: ZINC000000105883
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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