SEQ2FUN

BioLiP

PDB CCD ID: 8ZU
Number of entries in BioLiP: 3
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey: ATZHGRNFEFVDDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCc1ccc(cc1)C(=O)O
CACTVS 3.385CCCc1ccc(cc1)C(O)=O
Name:4-propylbenzoic acid
ChEMBL: CHEMBL116159
ZINC: ZINC000000157748
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).