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BioLiP

PDB CCD ID: E35
Number of entries in BioLiP: 2
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3
InChIKey: APHYVLPIZUVDTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOC(=O)c1cc(cc(c1)O)O
ACDLabs 12.01O=C(OCC)c1cc(O)cc(O)c1
CACTVS 3.370CCOC(=O)c1cc(O)cc(O)c1
Name:ethyl 3,5-dihydroxybenzoate
ChEMBL: CHEMBL448695
ZINC: ZINC000000338210
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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