SEQ2FUN

BioLiP

PDB CCD ID: V33
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1)CC(=O)O
ACDLabs 12.01COc1cc(CC(=O)O)ccc1
CACTVS 3.385COc1cccc(CC(O)=O)c1
Name:(3-methoxyphenyl)acetic acid
ChEMBL: CHEMBL345053
ZINC: ZINC000000153280
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).