SEQ2FUN

BioLiP

PDB CCD ID: PWY
Number of entries in BioLiP: 3
Chemical formula: C13 H12 O3
InChI: InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey: PHJFLPMVEFKEPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2cc(ccc2c1)CC(=O)O
CACTVS 3.385COc1ccc2cc(CC(O)=O)ccc2c1
ACDLabs 12.01c1cc(CC(=O)O)cc2c1cc(cc2)OC
Name:(6-methoxynaphthalen-2-yl)acetic acid
ChEMBL: CHEMBL1105
ZINC: ZINC000002014886
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).