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BioLiP

PDB CCD ID: K3Z
Number of entries in BioLiP: 2
Chemical formula: C10 H10 O3
InChI: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChIKey: AFDXODALSZRGIH-QPJJXVBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C=CC(=O)O
OpenEye OEToolkits 2.0.7COc1ccc(cc1)/C=C/C(=O)O
CACTVS 3.385COc1ccc(/C=C/C(O)=O)cc1
CACTVS 3.385COc1ccc(C=CC(O)=O)cc1
Name:(E)-3-(4-methoxyphenyl)acrylic acid
ChEMBL: CHEMBL95770
ZINC: ZINC000000077999
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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