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BioLiP

PDB CCD ID: UYT
Number of entries in BioLiP: 3
Chemical formula: C9 H13 N4
InChI: InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+
InChIKey: MRKZNCISKCWGLP-KPKJPENVSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=NNC(=[NH2+])N)c1ccccc1
OpenEye OEToolkits 2.0.7C/C(=N\NC(=[NH2+])N)/c1ccccc1
CACTVS 3.385CC(=NNC(N)=[NH2+])c1ccccc1
CACTVS 3.385C\C(=N/NC(N)=[NH2+])c1ccccc1
Name:[azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium;
Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium;
7377553
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).
  • 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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