BioLiP

PDB

BioLiP

PDB CCD ID:

N2C

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2 S

InChI:

InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1

InChIKey:

WQSNCKZPJSHACB-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CNC(CSC)C(=O)O
CACTVS 3.341	CN[C@@H](CSC)C(O)=O
CACTVS 3.341	CN[CH](CSC)C(O)=O
OpenEye OEToolkits 1.5.0	CN[C@@H](CSC)C(=O)O
ACDLabs 10.04	O=C(O)C(NC)CSC

Name:

N,S-DIMETHYLCYSTEINE

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).