BioLiP

PDB

BioLiP

PDB CCD ID:

A1JAY

Number of entries in BioLiP:

Chemical formula:

C10 H10 F3 N O2

InChI:

InChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-8-3-1-7(2-4-8)5-6-15/h1-4,15H,5-6H2,(H,14,16)

InChIKey:

ZEZDUYNOZBHUCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCc1ccc(NC(=O)C(F)(F)F)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCO)NC(=O)C(F)(F)F

Name:

2,2,2-tris(fluoranyl)-~{N}-[4-(2-hydroxyethyl)phenyl]ethanamide;
2-(4-trifluoroacetamidophenyl)ethanol

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).