BioLiP

PDB

BioLiP

PDB CCD ID:

J5D

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O

InChI:

InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey:

GEEDCVIVOYJQIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(=O)NCc1cc(c(cc1)F)C
CACTVS 3.385	CC(=O)NCc1ccc(F)c(C)c1
OpenEye OEToolkits 2.0.6	Cc1cc(ccc1F)CNC(=O)C

Name:

N-[(4-fluoro-3-methylphenyl)methyl]acetamide

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).