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BioLiP

PDB CCD ID: CG6
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C[C@H]([C@@H](C(=O)O)N)S
CACTVS 3.385C[C@@H](S)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.4CC(C(C(=O)O)N)S
CACTVS 3.385C[CH](S)[CH](N)C(O)=O
Name:beta-Methyl-Cysteine
ZINC: ZINC000005395370
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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