BioLiP

PDB

BioLiP

PDB CCD ID:

NCY

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey:

DVOOXRTYGGLORL-VKHMYHEASA-N

SMILES:

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

Name:

N-METHYLCYSTEINE

ZINC:

ZINC000004280685

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).