SEQ2FUN

BioLiP

PDB CCD ID: KJH
Number of entries in BioLiP: 2
Chemical formula: C11 H8 O
InChI: InChI=1S/C11H8O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H2
InChIKey: CPUOMPRQOCEZSL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C=C1C(=O)C=Cc2ccccc12
OpenEye OEToolkits 2.0.7C=C1c2ccccc2C=CC1=O
Name:1-methylidenenaphthalen-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).