SEQ2FUN

BioLiP

PDB CCD ID: A1JDH
Number of entries in BioLiP: 3
Chemical formula: C11 H12 O2
InChI: InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3
InChIKey: MDAIAXRTLTVEOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc2c1CCC(=O)C2
CACTVS 3.385COc1cccc2CC(=O)CCc12
Name:5-methoxy-3,4-dihydro-1~{H}-naphthalen-2-one
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).