BioLiP

PDB

BioLiP

PDB CCD ID:

A1CI8

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2 S

InChI:

InChI=1S/C10H9NO2S/c12-9-6-8(14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1

InChIKey:

RYUNWBGPJCWGPJ-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)C2CC(=O)NC(=O)S2
CACTVS 3.385	O=C1C[CH](SC(=O)N1)c2ccccc2
ACDLabs 14.52	O=C1NC(=O)CC(S1)c1ccccc1
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)[C@H]2CC(=O)NC(=O)S2
CACTVS 3.385	O=C1C[C@@H](SC(=O)N1)c2ccccc2

Name:

(6R)-6-phenyl-1,3-thiazinane-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).