SEQ2FUN

BioLiP

PDB CCD ID: EGM
Number of entries in BioLiP: 8
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey: ZQVKTHRQIXSMGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCc1ccc(cc1)C(=O)O
ACDLabs 12.01O=C(O)c1ccc(cc1)CC
CACTVS 3.370CCc1ccc(cc1)C(O)=O
Name:4-ethylbenzoic acid
ChEMBL: CHEMBL100768
ZINC: ZINC000000132913
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).