SEQ2FUN

BioLiP

PDB CCD ID: I1E
Number of entries in BioLiP: 2
Chemical formula: C9 H10 O
InChI: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.2		CCC(=O)c1ccccc1
ACDLabs 12.01O=C(c1ccccc1)CC
Name:1-phenylpropan-1-one;
1-phenyl-2-propen-1-one, bound form
ChEMBL: CHEMBL193446
ZINC: ZINC000001747833
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).