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BioLiP

PDB CCD ID: 5MH
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O S
InChI: InChI=1S/C6H7NOS/c1-5-2-3-6(9)7(8)4-5/h2-4,8H,1H3
InChIKey: NYCMWBOOSPXSNB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CN(O)C(=S)C=C1
ACDLabs 12.01S=C1C=CC(=CN1O)C
OpenEye OEToolkits 1.7.6CC1=CN(C(=S)C=C1)O
Name:1-hydroxy-5-methylpyridine-2(1H)-thione
ChEMBL: CHEMBL3326431
ZINC: ZINC000138423791
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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