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BioLiP

PDB CCD ID: XKY
Number of entries in BioLiP: 1
Chemical formula: C4 H7 N3
InChI: InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2
InChIKey: FEQLHIQTBHWUKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H](NCN1)C#N
OpenEye OEToolkits 2.0.7C1C(NCN1)C#N
CACTVS 3.385N#C[C@@H]1CNCN1
ACDLabs 12.01N#CC1NCNC1
CACTVS 3.385N#C[CH]1CNCN1
Name:(4S)-imidazolidine-4-carbonitrile
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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