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BioLiP

PDB CCD ID: A1IAU
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N O4
InChI: InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)
InChIKey: FLFZIGXNPJELGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)c2cc(c(c(c2)O)N)C(=O)O
CACTVS 3.385Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2
Name:2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid;
2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic 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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