BioLiP

PDB

BioLiP

PDB CCD ID:

TIU

Number of entries in BioLiP:

Chemical formula:

C3 H6 N4 O3

InChI:

InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)

InChIKey:

WNVQBUHCOYRLPA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)NC(=O)NC(N)=O
ACDLabs 12.01	NC(NC(=O)NC(N)=O)=O
OpenEye OEToolkits 2.0.7	C(=O)(N)NC(=O)NC(=O)N

Name:

tricarbonodiimidic diamide

ZINC:

ZINC000004582770

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).