SEQ2FUN

BioLiP

PDB CCD ID: ZGB
Number of entries in BioLiP: 5
Chemical formula: C11 H14 O3
InChI: InChI=1S/C11H14O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKey: ZATPJYSLVGVGGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1ccc(CCC(O)=O)cc1C
OpenEye OEToolkits 1.7.0Cc1cc(ccc1OC)CCC(=O)O
ACDLabs 12.01O=C(O)CCc1ccc(OC)c(c1)C
Name:3-(4-methoxy-3-methylphenyl)propanoic acid
ZINC: ZINC000000402356
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).