BioLiP

PDB

BioLiP

PDB CCD ID:

GHQ

Number of entries in BioLiP:

Chemical formula:

C10 H10 F3 N O

InChI:

InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)

InChIKey:

HGTGCLBXLPLRNB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)CCNC(=O)c1ccccc1
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(=O)NCCC(F)(F)F

Name:

~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

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).