SEQ2FUN

BioLiP

PDB CCD ID: O1J
Number of entries in BioLiP: 4
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey: GRZHHTYDZVRPIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)COCc1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)COCC(=O)O
ACDLabs 12.01c1ccccc1COCC(=O)O
Name:(benzyloxy)acetic acid
ChEMBL: CHEMBL3247413
ZINC: ZINC000000396091
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).