SEQ2FUN

BioLiP

PDB CCD ID: 2A9
Number of entries in BioLiP: 1
Chemical formula: C8 H10 O3
InChI: InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey: WHKRHBLAJFYZKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1ccc(cc1O)CO
ACDLabs 12.01Oc1cc(ccc1OC)CO
CACTVS 3.370COc1ccc(CO)cc1O
Name:5-(HYDROXYMETHYL)-2-METHOXYPHENOL
ChEMBL: CHEMBL1738713
ZINC: ZINC000000395646
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).