BioLiP

PDB

BioLiP

PDB CCD ID:

2NM

Number of entries in BioLiP:

Chemical formula:

C11 H9 F3 N2 O

InChI:

InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)

InChIKey:

ZYXHXNGIOSVJRA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	COc1cccc(c1)c2cc([nH]n2)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1cc(nn1)c2cc(OC)ccc2

Name:

3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

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).