BioLiP

PDB

BioLiP

PDB CCD ID:

UF3

Number of entries in BioLiP:

Chemical formula:

C11 H6 Cl N3 O2

InChI:

InChI=1S/C11H6ClN3O2/c12-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)11(17)15-9/h1-4H,(H,14,16)(H,15,17)

InChIKey:

LKHRQOBJACQEBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)c3c(cn2)NC(=O)C(=O)N3

Name:

9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione

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).