SEQ2FUN

BioLiP

PDB CCD ID: BEO
Number of entries in BioLiP: 7
Chemical formula: C4 H6 O2
InChI: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey: LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)/C=C/C
CACTVS 3.341CC=CC(O)=O
CACTVS 3.341C/C=C/C(O)=O
OpenEye OEToolkits 1.5.0CC=CC(=O)O
Name:BUTENOIC ACID
ChEMBL: CHEMBL1213528
DrugBank: DB02074
ZINC: ZINC000000901132
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).