BioLiP

PDB

BioLiP

PDB CCD ID:

03Y

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1

InChIKey:

NZBONMFLYFGTAC-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C[C@](CS)(C(=O)O)N
CACTVS 3.370	C[C](N)(CS)C(O)=O
CACTVS 3.370	C[C@](N)(CS)C(O)=O
OpenEye OEToolkits 1.7.2	CC(CS)(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)(C)CS

Name:

2-methyl-L-cysteine

ZINC:

ZINC000013525849

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).