BioLiP

PDB

BioLiP

PDB CCD ID:

ZZR

Number of entries in BioLiP:

Chemical formula:

C3 H6 N7

InChI:

InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1

InChIKey:

JFMHNXXJHXPFLE-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.352	Nc1[nH][n+]2c(N)n[nH]c2n1
ACDLabs 10.04	n1c(N)n[n+]2c(nnc12)N
OpenEye OEToolkits 1.6.1	c1([nH][n+]2c(n[nH]c2n1)N)N

Name:

3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium

ZINC:

ZINC000103563006

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).