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BioLiP

PDB CCD ID: 9WB
Number of entries in BioLiP: 4
Chemical formula: C13 H13 N O
InChI: InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKey: OGQGCZKEXJDIHR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)C(=C(C)N1)c2ccccc2
OpenEye OEToolkits 2.0.6CC1=CC(=O)C(=C(N1)C)c2ccccc2
Name:2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one
ZINC: ZINC000078169886
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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