SEQ2FUN

BioLiP

PDB CCD ID: 49Q
Number of entries in BioLiP: 1
Chemical formula: C16 H18 O2
InChI: InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKey: FZALPKMIIYFLAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(c1ccc(cc1)CCCO)Cc2ccccc2
CACTVS 3.385OCCCc1ccc(OCc2ccccc2)cc1
OpenEye OEToolkits 1.9.2c1ccc(cc1)COc2ccc(cc2)CCCO
Name:3-[4-(benzyloxy)phenyl]propan-1-ol
ChEMBL: CHEMBL3402237
ZINC: ZINC000002511828
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).