SEQ2FUN

BioLiP

PDB CCD ID: AC0
Number of entries in BioLiP: 5
Chemical formula: C8 H8 O
InChI: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(c1ccccc1)C
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(=O)c1ccccc1
Name:1-PHENYLETHANONE;
ACETOPHENONE
ChEMBL: CHEMBL274467
DrugBank: DB04619
ZINC: ZINC000000896628
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).