SEQ2FUN

BioLiP

PDB CCD ID: PPI
Number of entries in BioLiP: 0
Chemical formula: C3 H6 O2
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(=O)O
CACTVS 3.341CCC(O)=O
ACDLabs 10.04O=C(O)CC
Name:PROPANOIC ACID
ChEMBL: CHEMBL14021
DrugBank: DB03766
ZINC: ZINC000006050663
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).