BioLiP

PDB

BioLiP

PDB CCD ID:

QBP

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2[nH]nnn2)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1ccc(cc1)c2[nH]nnn2
ACDLabs 12.01	C(F)(F)(c2ccc(c1nnnn1)cc2)F

Name:

5-[4-(trifluoromethyl)phenyl]-1H-tetrazole

ZINC:

ZINC000000105883

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).