BioLiP

PDB

BioLiP

PDB CCD ID:

R7W

Number of entries in BioLiP:

Chemical formula:

C13 H8 N2 O2 S

InChI:

InChI=1S/C13H8N2O2S/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-

InChIKey:

CBNBVOIOQAFDLQ-XFFZJAGNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2cc(ccc2nc1)/C=C\3/C(=O)NC(=O)S3
CACTVS 3.385	O=C1NC(=O)C(S1)=Cc2ccc3ncccc3c2
CACTVS 3.385	O=C1NC(=O)\C(S1)=C\c2ccc3ncccc3c2
OpenEye OEToolkits 2.0.7	c1cc2cc(ccc2nc1)C=C3C(=O)NC(=O)S3

Name:

(5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-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).