BioLiP

PDB

BioLiP

PDB CCD ID:

SVF

Number of entries in BioLiP:

Chemical formula:

C14 H18 F N O

InChI:

InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3

InChIKey:

OOMYIKQRRZLESA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N1CCC(CC1)Cc2ccc(F)cc2
OpenEye OEToolkits 2.0.6	CC(=O)N1CCC(CC1)Cc2ccc(cc2)F

Name:

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone

ChEMBL:

CHEMBL4212506

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).