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BioLiP

PDB CCD ID: ZSA
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N6
InChI: InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15)
InChIKey: MMCURALNZRAPHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N=C(N)N\N=C1/N=C(N)c2ccccc21
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=NC2=NNC(=N)N)N
OpenEye OEToolkits 2.0.7c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N
CACTVS 3.385NC(=N)N/N=C/1N=C(N)c2ccccc/12
CACTVS 3.385NC(=N)NN=C1N=C(N)c2ccccc12
Name:(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
ZINC: ZINC000013571731

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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