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BioLiP

PDB CCD ID: DIA
Number of entries in BioLiP: 7
Chemical formula: C8 H20 N2
InChI: InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKey: PWGJDPKCLMLPJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCCN)CCCN
ACDLabs 10.04
CACTVS 3.341		NCCCCCCCCN
Name:OCTANE 1,8-DIAMINE;
1,8-DIAMINOOCTANE;
OCTAMETHYLENEDIAMINE;
1,8-OCTANEDIAMINE
ChEMBL: CHEMBL29392
DrugBank: DB04333
ZINC: ZINC000001677582
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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