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BioLiP

PDB CCD ID: 5B9
Number of entries in BioLiP: 1
Chemical formula: C18 H14 O3
InChI: InChI=1S/C18H14O3/c19-18(20)16-10-3-4-11-17(16)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,19,20)
InChIKey: MDMYMMOPBHNQFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cccc2COc3ccccc3C(=O)O
CACTVS 3.385OC(=O)c1ccccc1OCc2cccc3ccccc23
ACDLabs 12.01c21ccccc1cccc2COc3ccccc3C(O)=O
Name:2-(naphthalen-1-ylmethoxy)benzoic acid
ZINC: ZINC000011948034
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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