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BioLiP Library

PDB CCD ID: WJZ
Number of entries in BioLiP: 2
Chemical formula: C5 H9 N O3 S
InChI: InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1
InChIKey: YTGJWQPHMWSCST-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H](S)C(=O)NCC(O)=O
CACTVS 3.385C[CH](S)C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.6CC(C(=O)NCC(=O)O)S
OpenEye OEToolkits 1.7.6C[C@@H](C(=O)NCC(=O)O)S
Name:TIOPRONIN;
THIOLA
ZINC: ZINC000000155905
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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