SEQ2FUN

BioLiP

PDB CCD ID: KIB
Number of entries in BioLiP: 2
Chemical formula: C8 H10 O4
InChI: InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
InChIKey: GXAVBFNRWXCOPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cc(cc(c1O)OC)O
ACDLabs 10.04O(c1cc(O)cc(OC)c1O)C
CACTVS 3.341COc1cc(O)cc(OC)c1O
Name:2,6-dimethoxybenzene-1,4-diol
ZINC: ZINC000001681321
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).