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BioLiP

PDB CCD ID: CME
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O3 S2
InChI: InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
InChIKey: YPUBRSXDQSFQBA-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSSCC(C(=O)O)N)O
CACTVS 3.341N[CH](CSSCCO)C(O)=O
CACTVS 3.341N[C@@H](CSSCCO)C(O)=O
OpenEye OEToolkits 1.5.0C(CSSC[C@@H](C(=O)O)N)O
ACDLabs 10.04O=C(O)C(N)CSSCCO
Name:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
DrugBank: DB04530
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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