SEQ2FUN

BioLiP

PDB CCD ID: 06Y
Number of entries in BioLiP: 1
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey: LCPDWSOZIOUXRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)COc1ccccc1
ACDLabs 12.01O=C(O)COc1ccccc1
OpenEye OEToolkits 1.7.2c1ccc(cc1)OCC(=O)O
Name:2-phenoxyethanoic acid
ChEMBL: CHEMBL173521
ZINC: ZINC000000331715
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).