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BioLiP

PDB CCD ID: 1R2
Number of entries in BioLiP: 23
Chemical formula: C13 H9 N O6
InChI: InChI=1S/C13H9NO6/c15-10-4-8(13(16)17)5-12(7-10)20-11-3-1-2-9(6-11)14(18)19/h1-7,15H,(H,16,17)
InChIKey: KGFXJYALKCBPSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2cc(Oc1cccc(c1)[N+]([O-])=O)cc(O)c2
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-]
CACTVS 3.370OC(=O)c1cc(O)cc(Oc2cccc(c2)[N+]([O-])=O)c1
Name:3-hydroxy-5-(3-nitrophenoxy)benzoic acid
ZINC: ZINC000098208014
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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