BioLiP

PDB

BioLiP

PDB CCD ID:

5TI

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O4

InChI:

InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)

InChIKey:

IXYLVJHFJKDHRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(\C=C\C=C2C(=O)NC(=O)NC2=O)cc1
CACTVS 3.385	COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O

Name:

5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

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).