BioLiP

PDB

BioLiP

PDB CCD ID:

A1AW8

Number of entries in BioLiP:

Chemical formula:

C12 H11 F2 N O2

InChI:

InChI=1S/C12H11F2NO2/c1-7-4-11(16)15(12(17)5-7)10-3-2-8(13)6-9(10)14/h2-3,6-7H,4-5H2,1H3

InChIKey:

AZZBPDLRDYEBGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1cc(F)c(cc1)N1C(=O)CC(C)CC1=O
OpenEye OEToolkits 2.0.7	CC1CC(=O)N(C(=O)C1)c2ccc(cc2F)F
CACTVS 3.385	CC1CC(=O)N(C(=O)C1)c2ccc(F)cc2F

Name:

(1m)-1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione

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).