BioLiP

PDB

BioLiP

PDB CCD ID:

A1EF8

Number of entries in BioLiP:

Chemical formula:

C8 H6 N2 O2

InChI:

InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H

InChIKey:

PSWCIARYGITEOY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[O-][N+](=O)c1ccc2cc[nH]c2c1
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc[nH]2)[N+](=O)[O-]

Name:

6-nitro-1~{H}-indole

ChEMBL:

CHEMBL325066

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).