BioLiP

PDB

BioLiP

PDB CCD ID:

7R4

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O S2

InChI:

InChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1

InChIKey:

HEFVAMUJRPNDFW-MRVPVSSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1ccc(cc1)CC2C(NC(=S)S2)=O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2
CACTVS 3.385	O=C1NC(=S)S[CH]1Cc2ccccc2
CACTVS 3.385	O=C1NC(=S)S[C@@H]1Cc2ccccc2
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CC2C(=O)NC(=S)S2

Name:

(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one

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).