BioLiP

PDB

BioLiP

PDB CCD ID:

CG6

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2 S

InChI:

InChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1

InChIKey:

TYEIDAYBPNPVII-GBXIJSLDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C[C@H]([C@@H](C(=O)O)N)S
CACTVS 3.385	C[C@@H](S)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.4	CC(C(C(=O)O)N)S
CACTVS 3.385	C[CH](S)[CH](N)C(O)=O

Name:

beta-Methyl-Cysteine

ZINC:

ZINC000005395370

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).