SEQ2FUN

BioLiP

PDB CCD ID: O9F
Number of entries in BioLiP: 2
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKey: NTPLXRHDUXRPNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(cc1)OC
CACTVS 3.385COc1ccc(cc1)C(C)=O
Name:1-(4-methoxyphenyl)ethanone
ChEMBL: CHEMBL401912
ZINC: ZINC000000157405
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).