BioLiP

PDB

BioLiP

PDB CCD ID:

A1JUW

Number of entries in BioLiP:

Chemical formula:

C17 H11 N O3 S

InChI:

InChI=1S/C17H11NO3S/c19-15-7-8-16(20)18(15)10-5-6-14-12(9-10)17(21)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2

InChIKey:

NNARTBFMPNOEGC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4=O
CACTVS 3.385	O=C1CCC(=O)N1c2ccc3Sc4ccccc4C(=O)c3c2

Name:

1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-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).