SEQ2FUN

BioLiP

PDB CCD ID: BZX
Number of entries in BioLiP: 10
Chemical formula: C7 H6 O3
InChI: InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1O)OCO2
CACTVS 3.370Oc1ccc2OCOc2c1
ACDLabs 12.01O1c2ccc(O)cc2OC1
Name:1,3-benzodioxol-5-ol
ChEMBL: CHEMBL1517998
ZINC: ZINC000000164504
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).