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BioLiP

PDB CCD ID: 2IM
Number of entries in BioLiP: 2
Chemical formula: C5 H10 N2
InChI: InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
InChIKey: DHGUMNJVFYRSIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCNC(=N)C1
ACDLabs 10.04[N@H]=C1NCCCC1
CACTVS 3.341N=C1CCCCN1
Name:PIPERIDIN-2-IMINE
ChEMBL: CHEMBL269058
ZINC: ZINC000002141055
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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