SEQ2FUN

BioLiP

PDB CCD ID: FL3
Number of entries in BioLiP: 39
Chemical formula: C12 H10 O
InChI: InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChIKey: XSAYZAUNJMRRIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)c1ccc2ccccc2c1
Name:1-naphthalen-2-ylethanone
ChEMBL: CHEMBL3183700
ZINC: ZINC000000967335
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).