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BioLiP

PDB CCD ID: WIL
Number of entries in BioLiP: 1
Chemical formula: C19 H16 O4
InChI: InChI=1S/C19H16O4/c1-22-14-5-3-4-13(10-14)18-16(19(20)21)9-7-12-6-8-15(23-2)11-17(12)18/h3-11H,1-2H3,(H,20,21)
InChIKey: JDSWYBFVGFQACV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1)c2c(ccc3c2cc(cc3)OC)C(=O)O
ACDLabs 12.01COc1cc(ccc1)c1c2cc(OC)ccc2ccc1C(=O)O
CACTVS 3.385COc1cccc(c1)c2c(ccc3ccc(OC)cc23)C(O)=O
Name:(1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid
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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