BioLiP

PDB

BioLiP

PDB CCD ID:

X0L

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O2

InChI:

InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)

InChIKey:

CDBRNCZLZWKJSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)CN2c3ccccc3NC(=O)C2=O

Name:

4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-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).