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BioLiP

PDB CCD ID: 7MH
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O S
InChI: InChI=1S/C7H9NOS/c1-5-3-6(2)8(9)7(10)4-5/h3-4,9H,1-2H3
InChIKey: OZNBIIYHOPDSLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01S=C1C=C(C=C(N1O)C)C
OpenEye OEToolkits 1.7.6CC1=CC(=S)N(C(=C1)C)O
CACTVS 3.385CC1=CC(=S)N(O)C(=C1)C
Name:1-hydroxy-4,6-dimethylpyridine-2(1H)-thione
ChEMBL: CHEMBL3326433
ZINC: ZINC000034016800
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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