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BioLiP

PDB CCD ID: SPM
Number of entries in BioLiP: 63
Chemical formula: C10 H26 N4
InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCNCCCCNCCCN
OpenEye OEToolkits 1.5.0C(CCNCCCN)CNCCCN
Name:SPERMINE
ChEMBL: CHEMBL23194
DrugBank: DB00127
ZINC: ZINC000001532734
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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