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BioLiP

PDB CCD ID: USA
Number of entries in BioLiP: 1
Chemical formula: C4 H5 N3
InChI: InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
InChIKey: CWGOCYXTOJEBFI-HWKANZROSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccnc1/C=N
OpenEye OEToolkits 2.0.7[H]/N=C/c1[nH]ccn1
OpenEye OEToolkits 2.0.7c1cnc([nH]1)C=N
CACTVS 3.385N=Cc1[nH]ccn1
Name:(E)-1-(1H-imidazol-2-yl)methanimine
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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