BioLiP

PDB

BioLiP

PDB CCD ID:

A1IZM

Number of entries in BioLiP:

Chemical formula:

C13 H7 F2 N O5

InChI:

InChI=1S/C13H7F2NO5/c14-7-2-1-3-8(15)11(7)12(18)6-4-9(16(20)21)13(19)10(17)5-6/h1-5,17,19H

InChIKey:

IGCMBTUXZXDHQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2c(F)cccc2F
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F

Name:

[2,6-bis(fluoranyl)phenyl]-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone

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).