BioLiP

PDB

BioLiP

PDB CCD ID:

6TZ

Number of entries in BioLiP:

Chemical formula:

C9 H7 F N2

InChI:

InChI=1S/C9H7FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)

InChIKey:

WKIRCCSDGDQJJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)F)c2cc[nH]n2
CACTVS 3.385	Fc1cccc(c1)c2cc[nH]n2

Name:

3-(3-fluorophenyl)-1H-pyrazole

ZINC:

ZINC000004348130

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).