SEQ2FUN

BioLiP

PDB CCD ID: 2FY
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3
InChIKey: LLBBBYLDTDJMNU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCC(=O)c1ccc(O)cc1O
OpenEye OEToolkits 1.7.0CCC(=O)c1ccc(cc1O)O
ACDLabs 12.01O=C(c1ccc(O)cc1O)CC
Name:1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE
ChEMBL: CHEMBL539379
ZINC: ZINC000000155598
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).