BioLiP

PDB

BioLiP

PDB CCD ID:

A1EF6

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O S

InChI:

InChI=1S/C4H7NOS/c1-5-4(6)2-3-7/h2-3,7H,1H3,(H,5,6)/b3-2+

InChIKey:

BYVOHKLWUDZCNW-NSCUHMNNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)\C=C\S
OpenEye OEToolkits 2.0.7	CNC(=O)/C=C/S
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=O)C=CS

Name:

(Z)-N-methyl-3-sulfanyl-prop-2-enamide;
SCHEMBL25458780

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).