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BioLiP

PDB CCD ID: ZS1
Number of entries in BioLiP: 4
Chemical formula: C8 H7 N3
InChI: InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKey: RZVCEPSDYHAHLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=N)c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=NC2=N)N
OpenEye OEToolkits 2.0.7[H]/N=C\1/c2ccccc2C(=N1)N
ACDLabs 12.01N=C1N=C(N)c2ccccc12
Name:(1Z)-1-imino-1H-isoindol-3-amine
ChEMBL: CHEMBL3185395
ZINC: ZINC000000388558
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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