BioLiP

PDB

BioLiP

PDB CCD ID:

C53

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 O S

InChI:

InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+

InChIKey:

LHGOQMPIWSCKBA-FNORWQNLSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N=C1NC(=O)C(S1)=Cc2ccccn2
OpenEye OEToolkits 1.5.0	[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1
CACTVS 3.341	N=C1NC(=O)C(\S1)=C/c2ccccn2
ACDLabs 10.04	O=C1C(/SC(=[N@H])N1)=C\c2ncccc2
OpenEye OEToolkits 1.5.0	[H]N=C1NC(=O)C(=Cc2ccccn2)S1

Name:

2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE

DrugBank:

DB07529

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).