BioLiP

PDB

BioLiP

PDB CCD ID:

A1AVS

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O3

InChI:

InChI=1S/C11H10N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,13,14,15,16)

InChIKey:

MENIJRPFVLNJIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC2C(=O)NC(=O)NC2=O
CACTVS 3.385	O=C1NC(=O)C(Cc2ccccc2)C(=O)N1
ACDLabs 12.01	O=C1NC(=O)NC(=O)C1Cc1ccccc1

Name:

5-benzyl-1,3-diazinane-2,4,6-trione

ChEMBL:

CHEMBL1275661

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).