BioLiP

PDB

BioLiP

PDB CCD ID:

NHH

Number of entries in BioLiP:

Chemical formula:

C8 H16 N8

InChI:

InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4H2,(H4,9,10,15)(H4,11,12,16)/b13-5-,14-6+

InChIKey:

HEPQODZXYFHKOQ-FUJGBLOQSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(N)=NN=C1CCC(CC1)=NN=C(N)N
CACTVS 3.341	NC(N)=N\N=C1\CC\C(CC1)=N/N=C(N)N
OpenEye OEToolkits 1.5.0	C1CC(=NN=C(N)N)CCC1=NN=C(N)N
ACDLabs 10.04	N(\N=C1/CC\C(=N\N=C(/N)N)CC1)=C(\N)N

Name:

N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE

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).