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BioLiP

PDB CCD ID: MXX
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N O3
InChI: InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3
InChIKey: FTGZPMFPUDKJBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccc(OC)c2C(=CC(=O)N(C)c12)C
ACDLabs 10.04O=C2C=C(c1c(OC)ccc(OC)c1N2C)C
OpenEye OEToolkits 1.5.0CC1=CC(=O)N(c2c1c(ccc2OC)OC)C
Name:5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
ChEMBL: CHEMBL490867
DrugBank: DB08228
ZINC: ZINC000001423886
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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