BioLiP

PDB

BioLiP

PDB CCD ID:

A1IQV

Number of entries in BioLiP:

Chemical formula:

C20 H14 N2 O2

InChI:

InChI=1S/C20H14N2O2/c23-20(22-24)14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19/h1-12,24H,(H,22,23)

InChIKey:

SKTQGZRQWBQSQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)c1ccc(cc1)c2nc3ccccc3c4ccccc24
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3nc2c4ccc(cc4)C(=O)NO

Name:

~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide

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).