BioLiP

PDB

BioLiP

PDB CCD ID:

A1BWJ

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O4

InChI:

InChI=1S/C11H10N2O4/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-4,8,14H,5H2,(H2,12,13,15,16,17)

InChIKey:

VHLBCIZZFAHISJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(CC2C(=O)NC(=O)NC2=O)c1
OpenEye OEToolkits 3.1.0.0	c1cc(cc(c1)O)CC2C(=O)NC(=O)NC2=O
ACDLabs 14.52	O=C1NC(=O)NC(=O)C1Cc1cccc(O)c1

Name:

5-[(3-hydroxyphenyl)methyl]-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).