SEQ2FUN

BioLiP

PDB CCD ID: N0Y
Number of entries in BioLiP: 5
Chemical formula: C14 H14 O
InChI: InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey: GQLYCRTUQGSDSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)Cc2ccccc2
CACTVS 3.385COc1ccc(Cc2ccccc2)cc1
ACDLabs 12.01c1c(cccc1)Cc2ccc(cc2)OC
Name:1-benzyl-4-methoxybenzene
ChEMBL: CHEMBL1915868
ZINC: ZINC000001640891
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).