BioLiP

PDB

BioLiP

PDB CCD ID:

OSM

Number of entries in BioLiP:

Chemical formula:

C H5 N O S

InChI:

InChI=1S/CH5NOS/c2-1-4-3/h4H,1-2H2

InChIKey:

KONFWJXIYYGXOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(N)S=O
CACTVS 3.341	NC[S@H]=O
OpenEye OEToolkits 1.5.0	C(N)[S@@H]=O
ACDLabs 10.04	O=SCN
CACTVS 3.341	NC[SH]=O

Name:

1-(OXIDOSULFANYL)METHANAMINE

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).