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BioLiP

PDB CCD ID: JBK
Number of entries in BioLiP: 2
Chemical formula: C6 H6 N2 O3
InChI: InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1c(O)cccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)O)N)[N+](=O)[O-]
Name:2-azanyl-3-nitro-phenol
ZINC: ZINC000004272219
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)(download the PDF file).
  • 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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