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BioLiP

PDB CCD ID: SPE
Number of entries in BioLiP: 0
Chemical formula: C9 H24 N4
InChI: InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
InChIKey: ZAXCZCOUDLENMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CN)CNCCCNCCCN
ACDLabs 10.04
CACTVS 3.341		NCCCNCCCNCCCN
Name:THERMINE
ChEMBL: CHEMBL91193
ZINC: ZINC000001656877
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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