SEQ2FUN

BioLiP

PDB CCD ID: 975
Number of entries in BioLiP: 36
Chemical formula: C8 H10 O3
InChI: InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
InChIKey: JUUBCHWRXWPFFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCc1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1CCO)O)O
Name:4-(2-hydroxyethyl)benzene-1,2-diol
ChEMBL: CHEMBL1950045
DrugBank: DB12771
ZINC: ZINC000002379217
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).