SEQ2FUN

BioLiP

PDB CCD ID: 02S
Number of entries in BioLiP: 1
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChIKey: AQSCHALQLXXKKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)c1ccc(OCc2ccccc2)cc1
OpenEye OEToolkits 1.7.2c1ccc(cc1)COc2ccc(cc2)C(=O)O
ACDLabs 12.01O=C(O)c2ccc(OCc1ccccc1)cc2
Name:4-(benzyloxy)benzoic acid
ChEMBL: CHEMBL3134411
ZINC: ZINC000000169677
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).