BioLiP

PDB

BioLiP

PDB CCD ID:

YL8

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2n[nH]nn2
CACTVS 3.385	FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2n[nH]nn2
ACDLabs 12.01	FC(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, 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).