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BioLiP

PDB CCD ID: 4FE
Number of entries in BioLiP: 1
Chemical formula: C10 H10 O4
InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)\C=C\c1ccc(OC)c(O)c1
OpenEye OEToolkits 1.5.0COc1ccc(cc1O)\C=C\C(=O)O
CACTVS 3.341COc1ccc(C=CC(O)=O)cc1O
CACTVS 3.341COc1ccc(/C=C/C(O)=O)cc1O
OpenEye OEToolkits 1.5.0COc1ccc(cc1O)C=CC(=O)O
Name:(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid;
3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPENOIC ACID
ChEMBL: CHEMBL233295
DrugBank: DB07109
ZINC: ZINC000000156055
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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