SEQ2FUN

BioLiP

PDB CCD ID: ZGC
Number of entries in BioLiP: 1
Chemical formula: C10 H12 O3
InChI: InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChIKey: FIUFLISGGHNPSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1ccc(cc1)CCC(=O)O
CACTVS 3.370COc1ccc(CCC(O)=O)cc1
ACDLabs 12.01O=C(O)CCc1ccc(OC)cc1
Name:3-(4-methoxyphenyl)propanoic acid
ChEMBL: CHEMBL1738950
ZINC: ZINC000000391192
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).