BioLiP

PDB

BioLiP

PDB CCD ID:

S0V

Number of entries in BioLiP:

Chemical formula:

C7 H9 N3 O2 S

InChI:

InChI=1S/C7H9N3O2S/c11-7(6-5-13-9-8-6)10-1-3-12-4-2-10/h5H,1-4H2

InChIKey:

BPUDGPLMUNVDOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c(nns1)C(=O)N2CCOCC2
CACTVS 3.385	O=C(N1CCOCC1)c2csnn2

Name:

morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone

ZINC:

ZINC000001403376

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).