SEQ2FUN

BioLiP

PDB CCD ID: 5XC
Number of entries in BioLiP: 1
Chemical formula: C8 H6 O3
InChI: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey: SATCULPHIDQDRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc2c(cc1C=O)OCO2
CACTVS 3.385O=Cc1ccc2OCOc2c1
Name:1,3-benzodioxole-5-carbaldehyde
ChEMBL: CHEMBL271663
ZINC: ZINC000000001953
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).