SEQ2FUN

BioLiP

PDB CCD ID: AC6
Number of entries in BioLiP: 4
Chemical formula: C8 H8 O2
InChI: InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKey: TXFPEBPIARQUIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)c1ccc(O)cc1
ACDLabs 10.04O=C(c1ccc(O)cc1)C
OpenEye OEToolkits 1.5.0CC(=O)c1ccc(cc1)O
Name:P-HYDROXYACETOPHENONE
ChEMBL: CHEMBL201083
ZINC: ZINC000000330136
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).