BioLiP

PDB

BioLiP

PDB CCD ID:

WD2

Number of entries in BioLiP:

Chemical formula:

C10 H12 F3 N3

InChI:

InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2

InChIKey:

GRKRSFCFKGOSNB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cc1C(F)(F)F)N2CCNCC2
CACTVS 3.385	FC(F)(F)c1ccnc(c1)N2CCNCC2

Name:

1-[4-(trifluoromethyl)pyridin-2-yl]piperazine

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).