SEQ2FUN

BioLiP

PDB CCD ID: 81J
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey: SHSGDXCJYVZFTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1ccc(cc1)C(O)=O
OpenEye OEToolkits 2.0.6CCOc1ccc(cc1)C(=O)O
ACDLabs 12.01C(O)(c1ccc(OCC)cc1)=O
Name:4-ethoxybenzoic acid
ChEMBL: CHEMBL324769
ZINC: ZINC000000120469
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).