BioLiP

PDB

BioLiP

PDB CCD ID:

BYM

Number of entries in BioLiP:

Chemical formula:

C11 H5 F2 N O4 S

InChI:

InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-

InChIKey:

SRLVNYDXMUGOFI-YWEYNIOJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F
CACTVS 3.341	FC1(F)Oc2ccc(cc2O1)C=C3SC(=O)NC3=O
CACTVS 3.341	FC1(F)Oc2ccc(cc2O1)/C=C/3SC(=O)NC/3=O
OpenEye OEToolkits 1.5.0	c1cc2c(cc1C=C3C(=O)NC(=O)S3)OC(O2)(F)F
ACDLabs 10.04	O=C1C(\SC(=O)N1)=C\c3ccc2OC(F)(F)Oc2c3

Name:

(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE

ChEMBL:

CHEMBL1231533

DrugBank:

DB07503

ZINC:

ZINC000033821235

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).