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BioLiP

PDB CCD ID: GQA
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O S
InChI: InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
InChIKey: SQEXIHSVVCJZTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C=CC=C(O)C1=S
OpenEye OEToolkits 2.0.6CN1C=CC=C(C1=S)O
Name:1-methyl-3-oxidanyl-pyridine-2-thione
ChEMBL: CHEMBL1650621
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).
  • 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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