BioLiP

PDB

BioLiP

PDB CCD ID:

GUR

Number of entries in BioLiP:

Chemical formula:

C4 H6 N4 O2

InChI:

InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H

InChIKey:

VPVSTMAPERLKKM-VULYJZGWDX

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C12C(NC(=O)N1)NC(=O)N2
ACDLabs 10.04	O=C1NC2NC(=O)NC2N1
CACTVS 3.341	O=C1N[C@@H]2NC(=O)N[C@@H]2N1
CACTVS 3.341	O=C1N[CH]2NC(=O)N[CH]2N1

Name:

GLYCOLURIL

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).