SEQ2FUN

BioLiP

PDB CCD ID: GDE
Number of entries in BioLiP: 22
Chemical formula: C7 H6 O5
InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1c(cc(c(c1O)O)O)C(=O)O
CACTVS 3.370OC(=O)c1cc(O)c(O)c(O)c1
ACDLabs 12.01O=C(O)c1cc(O)c(O)c(O)c1
Name:3,4,5-trihydroxybenzoic acid;
Gallate
ChEMBL: CHEMBL288114
ZINC: ZINC000000001504
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).