BioLiP

PDB

BioLiP

PDB CCD ID:

TNF

Number of entries in BioLiP:

Chemical formula:

C6 H3 N3 O7

InChI:

InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

InChIKey:

OXNIZHLAWKMVMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
CACTVS 3.341	Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
ACDLabs 10.04	O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O

Name:

PICRIC ACID;
2,4,6-TRINITROPHENOL

ChEMBL:

CHEMBL108541

DrugBank:

DB03651

ZINC:

ZINC000001883067

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).