SEQ2FUN

BioLiP

PDB CCD ID: 1ON
Number of entries in BioLiP: 1
Chemical formula: C9 H8 O
InChI: InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1CCc2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CCC2=O
ACDLabs 12.01O=C2c1ccccc1CC2
Name:2,3-dihydro-1H-inden-1-one;
1-indanone
ZINC: ZINC000000897152
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).