SEQ2FUN

BioLiP

PDB CCD ID: 0TR
Number of entries in BioLiP: 14
Chemical formula: C7 H6 O2
InChI: InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKey: MDYOLVRUBBJPFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC1=CC=CC=CC1=O
OpenEye OEToolkits 1.6.1C1=CC=C(C(=O)C=C1)O
Name:2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE;
TROPOLONE
ChEMBL: CHEMBL121188
ZINC: ZINC000000392003
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).