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BioLiP Library

PDB CCD ID: 5XB
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N O4 S
InChI: InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m0/s1
InChIKey: DAXBISKSIDBYEU-STHAYSLISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1C(NC(S1)C(=O)O)C(=O)O
CACTVS 3.385OC(=O)[CH]1CS[CH](N1)C(O)=O
OpenEye OEToolkits 2.0.4C1[C@H](N[C@H](S1)C(=O)O)C(=O)O
CACTVS 3.385OC(=O)[C@@H]1CS[C@@H](N1)C(O)=O
Name:(2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid
ZINC: ZINC000003883777
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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