BioLiP

PDB

BioLiP

PDB CCD ID:

U1O

Number of entries in BioLiP:

Chemical formula:

C15 H11 N O2 S

InChI:

InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17)

InChIKey:

GLOTXRJEKGIJGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc2c(c1)C(=O)c3ccccc3S2
CACTVS 3.385	CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1

Name:

N-(9-oxidanylidenethioxanthen-2-yl)ethanamide

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).