SEQ2FUN

BioLiP

PDB CCD ID: JZ1
Number of entries in BioLiP: 1
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCc1ccccc1O
Name:2-ethylphenol
ChEMBL: CHEMBL321029
ZINC: ZINC000001706027
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).