BioLiP

PDB

BioLiP

PDB CCD ID:

XFZ

Number of entries in BioLiP:

Chemical formula:

C10 H14 N8

InChI:

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

InChIKey:

XMHHBYPIBVIERY-IAGONARPSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C=NN=C(N)N)C=NN=C(N)N
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)/C=N/N=C(N)N)/C=N/N=C(N)N
CACTVS 3.385	NC(N)=N\N=C\c1cccc(/C=N/N=C(N)N)c1

Name:

Bis-1,3-phenyl guanylhydrazon;
2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine

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).