BioLiP

PDB

BioLiP

PDB CCD ID:

JGV

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O2 S

InChI:

InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2

InChIKey:

GVBDJDHROSBCGM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1C(=O)N3CCOCC3)NNS2
CACTVS 3.385	O=C(N1CCOCC1)c2ccc3SNNc3c2
ACDLabs 12.01	C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3

Name:

(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

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).