BioLiP

PDB

BioLiP

PDB CCD ID:

SEU

Number of entries in BioLiP:

Chemical formula:

C3 H8 N2 S

InChI:

InChI=1/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/f/h4H,5H2/b4-3-

InChIKey:

VFIZBHJTOHUOEK-ZODMDLHRDO

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCSC(=N)N
CACTVS 3.341	CCSC(N)=N
ACDLabs 10.04	[N@H]=C(SCC)N

Name:

S-ETHYLISOTHIOUREA

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).