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BioLiP Library

PDB CCD ID: 3NK
Number of entries in BioLiP: 5
Chemical formula: C15 H14 O3
InChI: InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
InChIKey: HGXDFGVHMYOSDC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2cc(ccc2c1)C(=O)CC(C)=O
OpenEye OEToolkits 2.0.7CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC
Name:1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
ZINC: ZINC000100770016
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)(download the PDF file).
  • 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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