SEQ2FUN

BioLiP

PDB CCD ID: ETY
Number of entries in BioLiP: 4
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCc1ccc(O)cc1
ACDLabs 10.04Oc1ccc(cc1)CC
OpenEye OEToolkits 1.5.0CCc1ccc(cc1)O
Name:4-ethylphenol
ChEMBL: CHEMBL108475
ZINC: ZINC000001690956
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).