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BioLiP

PDB CCD ID: NPY
Number of entries in BioLiP: 3
Chemical formula: C10 H8
InChI: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04c12ccccc1cccc2
CACTVS 3.341
OpenEye OEToolkits 1.5.0		c1ccc2ccccc2c1
Name:NAPHTHALENE
ChEMBL: CHEMBL16293
ZINC: ZINC000000967522
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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