SEQ2FUN

BioLiP

PDB CCD ID: HQE
Number of entries in BioLiP: 16
Chemical formula: C6 H6 O2
InChI: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		Oc1ccc(O)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1O)O
Name:benzene-1,4-diol
ChEMBL: CHEMBL537
DrugBank: DB09526
ZINC: ZINC000005133378
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).