SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C15 H10 F3 N3

InChI:

InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)

InChIKey:

UZOPNNYVHHABCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3
CACTVS 3.385	FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3

Name:

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

ChEMBL:

ZINC:

ZINC000001502390

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).