BioLiP

PDB

BioLiP

PDB CCD ID:

A1AY5

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2 S

InChI:

InChI=1S/C9H11NO2S/c11-9(8-2-1-5-12-8)10-3-6-13-7-4-10/h1-2,5H,3-4,6-7H2

InChIKey:

NLZGZUVTOHQCQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)C(=O)N2CCSCC2
CACTVS 3.385	O=C(N1CCSCC1)c2occc2
ACDLabs 12.01	O=C(c1ccco1)N1CCSCC1

Name:

(furan-2-yl)(thiomorpholin-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).