SEQ2FUN

BioLiP

PDB CCD ID: JQ8
Number of entries in BioLiP: 5
Chemical formula: C9 H6 O2
InChI: InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChIKey: XNERWVPQCYSMLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C#CC(=O)O
CACTVS 3.385OC(=O)C#Cc1ccccc1
Name:phenylpropiolic acid
ChEMBL: CHEMBL4059878
ZINC: ZINC000000332026
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).