SEQ2FUN

BioLiP

PDB CCD ID: 4RG
Number of entries in BioLiP: 2
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H,15,16)
InChIKey: URLYREZIPSJJQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cccc(c1)COc2ccccc2
OpenEye OEToolkits 1.7.2c1ccc(cc1)OCc2cccc(c2)C(=O)O
CACTVS 3.370OC(=O)c1cccc(COc2ccccc2)c1
Name:3-(phenoxymethyl)benzoic acid
ChEMBL: CHEMBL4638554
ZINC: ZINC000003159089
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).