SEQ2FUN

BioLiP

PDB CCD ID: HQN
Number of entries in BioLiP: 1
Chemical formula: C6 H6 O3
InChI: InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChIKey: GGNQRNBDZQJCCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1O)O)O
ACDLabs 12.01Oc1cc(O)c(O)cc1
CACTVS 3.370Oc1ccc(O)c(O)c1
Name:benzene-1,2,4-triol
ChEMBL: CHEMBL3092389
ZINC: ZINC000000388437
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).