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BioLiP Library

PDB CCD ID: XF2
Number of entries in BioLiP: 1
Chemical formula: C8 H9 Cl N4
InChI: InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
InChIKey: UYZKWRHTYCCDMP-LFYBBSHMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)NN=Cc1ccc(Cl)cc1
ACDLabs 12.01Clc1ccc(/C=N/NC(=N)N)cc1
CACTVS 3.385NC(=N)N/N=C/c1ccc(Cl)cc1
OpenEye OEToolkits 2.0.7[H]/N=C(/N)\N/N=C/c1ccc(cc1)Cl
OpenEye OEToolkits 2.0.7c1cc(ccc1C=NNC(=N)N)Cl
Name:(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide
ChEMBL: CHEMBL1179013
ZINC: ZINC000006092623
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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