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BioLiP

PDB CCD ID: CSS
Number of entries in BioLiP: 3
Chemical formula: C3 H7 N O2 S2
InChI: InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey: XBKONSCREBSMCS-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)SS
CACTVS 3.341N[CH](CSS)C(O)=O
CACTVS 3.341N[C@@H](CSS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)SS
ACDLabs 10.04O=C(O)C(N)CSS
Name:S-MERCAPTOCYSTEINE
DrugBank: DB02761
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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