SEQ2FUN

BioLiP

PDB CCD ID: BKZ
Number of entries in BioLiP: 3
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChIKey: NJGBTKGETPDVIK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)CCc1ccc(cc1)O
CACTVS 3.385CC(=O)CCc1ccc(O)cc1
Name:4-(4-hydroxyphenyl)butan-2-one
ChEMBL: CHEMBL105912
ZINC: ZINC000000154632
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).