SEQ2FUN

BioLiP

PDB CCD ID: ANX
Number of entries in BioLiP: 2
Chemical formula: C6 H4 N2 O5
InChI: InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H
InChIKey: UWEZBKLLMKVIPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])c1ccc(cc1O)[N+]([O-])=O
CACTVS 3.341Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-]
Name:2,5-DINITROPHENOL
ChEMBL: CHEMBL107513
ZINC: ZINC000003876088
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).