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BioLiP

PDB CCD ID: TER
Number of entries in BioLiP: 5
Chemical formula: C10 H26 N4
InChI: InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKey: DODDBCGMRAFLEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCNCCCNCCCN)CN
ACDLabs 10.04N(CCCCN)CCCNCCCN
CACTVS 3.341NCCCCNCCCNCCCN
Name:N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE;
THERMOSPERMINE;
PA(334)
ChEMBL: CHEMBL151993
ZINC: ZINC000027564039
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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