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BioLiP

PDB CCD ID: TM4
Number of entries in BioLiP: 1
Chemical formula: C6 H6 O2 S
InChI: InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
InChIKey: GKLSXUGPECNEMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=C(O)C(=S)C=CO1
OpenEye OEToolkits 1.7.6CC1=C(C(=S)C=CO1)O
ACDLabs 12.01S=C1C(O)=C(OC=C1)C
Name:3-hydroxy-2-methyl-4H-pyran-4-thione
ChEMBL: CHEMBL1650615
ZINC: ZINC000002573195
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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