SEQ2FUN

BioLiP

PDB CCD ID: BUA
Number of entries in BioLiP: 34
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(=O)O
CACTVS 3.385CCCC(O)=O
Name:butanoic acid
ChEMBL: CHEMBL14227
DrugBank: DB03568
ZINC: ZINC000000895132
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).