SEQ2FUN

BioLiP

PDB CCD ID: 4VP
Number of entries in BioLiP: 4
Chemical formula: C8 H8 O
InChI: InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChIKey: FUGYGGDSWSUORM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=Cc1ccc(cc1)O
ACDLabs 12.01Oc1ccc(\C=C)cc1
CACTVS 3.385Oc1ccc(C=C)cc1
Name:4-ethenylphenol
ChEMBL: CHEMBL349881
ZINC: ZINC000000895826
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).