BioLiP

PDB

BioLiP

PDB CCD ID:

UYQ

Number of entries in BioLiP:

Chemical formula:

C10 H16 N8

InChI:

InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+

InChIKey:

DJQYBCUFGZTQSR-IAGONARPSA-P

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=NNC(=[NH2+])N)C=NNC(=[NH2+])N
CACTVS 3.385	NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+]
CACTVS 3.385	NC(=[NH2+])N\N=C\c1ccc(cc1)\C=N\NC(N)=[NH2+]

Name:

[[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium

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).