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BioLiP

PDB CCD ID: 4HO
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O2
InChI: InChI=1S/C6H7NO2/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey: AFXHVMLWGXYZJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=CC(=O)N(C=C1)O
ACDLabs 12.01O=C1C=C(C=CN1O)C
CACTVS 3.385CC1=CC(=O)N(O)C=C1
Name:1-hydroxy-4-methylpyridin-2(1H)-one
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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