BioLiP

PDB

BioLiP

PDB CCD ID:

ZR9

Number of entries in BioLiP:

Chemical formula:

C9 H6 N2 O4

InChI:

InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)

InChIKey:

FDJXVHKCNJIHTB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc2NC(=O)NC(=O)c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C(=O)O)C(=O)NC(=O)N2
ACDLabs 12.01	O=C(O)c1ccc2NC(=O)NC(=O)c2c1

Name:

2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid

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).