BioLiP

PDB

BioLiP

PDB CCD ID:

SMC

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey:

IDIDJDIHTAOVLG-VKHMYHEASA-N

SMILES:

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

Name:

S-METHYLCYSTEINE

ChEMBL:

CHEMBL394875

DrugBank:

DB02216

ZINC:

ZINC000003861771

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).