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BioLiP

PDB CCD ID: A1IAW
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O3
InChI: InChI=1S/C9H11NO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
InChIKey: XAMRRIIZJBMPND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1cccc(C(O)=O)c1N
OpenEye OEToolkits 2.0.7CCOc1cccc(c1N)C(=O)O
Name:2-azanyl-3-ethoxy-benzoic acid;
2-amino-3-ethoxybenzoic acid
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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