BioLiP

PDB

BioLiP

PDB CCD ID:

JZA

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O4 S

InChI:

InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2

InChIKey:

FLIYHWNBIOGIBH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1COCCN1C(=O)N2CCS2(=O)=O
ACDLabs 12.01	O=C(N1CCOCC1)N2CCS2(=O)=O
CACTVS 3.370	O=C(N1CCOCC1)N2CC[S]2(=O)=O

Name:

4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine;
beta-sultam

ZINC:

ZINC000058649754

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).