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BioLiP

PDB CCD ID: 8OZ
Number of entries in BioLiP: 3
Chemical formula: C9 H8 O2
InChI: InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
InChIKey: ONPJWQSDZCGSQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C=C(c1ccccc1)C(=O)O
CACTVS 3.385OC(=O)C(=C)c1ccccc1
Name:2-Phenylacrylic acid
ZINC: ZINC000001577296
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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