SEQ2FUN

BioLiP

PDB CCD ID: 8RU
Number of entries in BioLiP: 4
Chemical formula: C8 H10 O2
InChI: InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChIKey: HFLGBNBLMBSXEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1ccc(O)c(O)c1
OpenEye OEToolkits 2.0.7CCc1ccc(c(c1)O)O
Name:4-ethylbenzene-1,2-diol
ChEMBL: CHEMBL1276241
ZINC: ZINC000000002501
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).