BioLiP

PDB

BioLiP

PDB CCD ID:

A1IBW

Number of entries in BioLiP:

Chemical formula:

C12 H11 F3 N2 O

InChI:

InChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3

InChIKey:

HLMRFDCLSUXVQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(cc(n1)C(F)(F)F)c2ccccc2CO
CACTVS 3.385	Cn1nc(cc1c2ccccc2CO)C(F)(F)F

Name:

[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol

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).