BioLiP

PDB

BioLiP

PDB CCD ID:

LM7

Number of entries in BioLiP:

Chemical formula:

C14 H9 N3 O5

InChI:

InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20)

InChIKey:

YVQCKIRAVMSRGN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O
ACDLabs 12.01	O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O
CACTVS 3.385	Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23

Name:

1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-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).