BioLiP

PDB

BioLiP

PDB CCD ID:

A1BL2

Number of entries in BioLiP:

Chemical formula:

C9 H5 F3 N4 O3

InChI:

InChI=1S/C9H5F3N4O3/c10-9(11,12)19-6-3-1-5(2-4-6)16-14-7(8(17)18)13-15-16/h1-4H,(H,17,18)

InChIKey:

ZXPOJTSLOPXWGR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1nnn(n1)c2ccc(OC(F)(F)F)cc2
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1n2nc(nn2)C(=O)O)OC(F)(F)F
ACDLabs 14.52	FC(F)(F)Oc1ccc(cc1)n1nc(nn1)C(=O)O

Name:

2-[4-(trifluoromethoxy)phenyl]-2H-tetrazole-5-carboxylic acid

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).