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BioLiP

PDB CCD ID: CMT
Number of entries in BioLiP: 1
Chemical formula: C4 H9 N O2 S
InChI: InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
InChIKey: MCYHPZGUONZRGO-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC(=O)[C@H](CS)N
CACTVS 3.341COC(=O)[C@@H](N)CS
CACTVS 3.341COC(=O)[CH](N)CS
ACDLabs 10.04O=C(OC)C(N)CS
OpenEye OEToolkits 1.5.0COC(=O)C(CS)N
Name:O-METHYLCYSTEINE
ChEMBL: CHEMBL1231844
ZINC: ZINC000019230196
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).
  • 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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