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BioLiP Library

PDB CCD ID: CSU
Number of entries in BioLiP: 0
Chemical formula: C3 H7 N O5 S2
InChI: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey: NOKPBJYHPHHWAN-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CS[S](O)(=O)=O)C(O)=O
ACDLabs 10.04O=S(=O)(O)SCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)SS(=O)(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)SS(=O)(=O)O
CACTVS 3.341N[CH](CS[S](O)(=O)=O)C(O)=O
Name:CYSTEINE-S-SULFONIC ACID
ChEMBL: CHEMBL457665
DrugBank: DB04370
ZINC: ZINC000003995568
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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