BioLiP

PDB

BioLiP

PDB CCD ID:

1Z8

Number of entries in BioLiP:

Chemical formula:

C10 H7 F3 N2

InChI:

InChI=1S/C10H7F3N2/c11-10(12,13)9-8(6-14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)

InChIKey:

WXEWNBPXLKAGHA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)c2nncc2c1ccccc1
CACTVS 3.385	FC(F)(F)c1n[nH]cc1c2ccccc2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2c[nH]nc2C(F)(F)F

Name:

4-phenyl-3-(trifluoromethyl)-1H-pyrazole

ZINC:

ZINC000000108681

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).