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BioLiP Library

PDB CCD ID: AHW
Number of entries in BioLiP: 1
Chemical formula: C13 H14 O
InChI: InChI=1S/C13H14O/c1-3-10-4-5-11-6-7-13(14-2)9-12(11)8-10/h4-9H,3H2,1-2H3
InChIKey: IZQPFGFFOUIMRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1ccc2ccc(cc2c1)OC
CACTVS 3.385CCc1ccc2ccc(OC)cc2c1
Name:2-ethyl-7-methoxy-naphthalene
ZINC: ZINC000034061011
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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