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BioLiP Library

PDB CCD ID: NHH
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.341NC(N)=NN=C1CCC(CC1)=NN=C(N)N
CACTVS 3.341NC(N)=N\N=C1\CC\C(CC1)=N/N=C(N)N
OpenEye OEToolkits 1.5.0C1CC(=NN=C(N)N)CCC1=NN=C(N)N
ACDLabs 10.04N(\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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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