SEQ2FUN

BioLiP

PDB CCD ID: PYG
Number of entries in BioLiP: 23
Chemical formula: C6 H6 O3
InChI: InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1cccc(O)c1O
Name:BENZENE-1,2,3-TRIOL;
PYROGALLOL
ChEMBL: CHEMBL307145
ZINC: ZINC000000330141
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).