BioLiP

PDB

BioLiP

PDB CCD ID:

DNF

Number of entries in BioLiP:

Chemical formula:

C6 H4 N2 O5

InChI:

InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H

InChIKey:

UFBJCMHMOXMLKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O
ACDLabs 10.04	O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O

Name:

2,4-DINITROPHENOL

ChEMBL:

CHEMBL273386

DrugBank:

DB04528

ZINC:

ZINC000012358776

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).