BioLiP

PDB

BioLiP

PDB CCD ID:

WHM

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O2 S

InChI:

InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2

InChIKey:

RVDJKNWVTKGWCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2(CN1CCCS1(=O)=O)cccc(c2)F
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)F)CN2CCCS2(=O)=O
CACTVS 3.385	Fc1cccc(CN2CCC[S]2(=O)=O)c1

Name:

2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

ZINC:

ZINC000071965017

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).