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BioLiP

PDB CCD ID: 16D
Number of entries in BioLiP: 22
Chemical formula: C6 H16 N2
InChI: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
InChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCN)CCN
ACDLabs 10.04
CACTVS 3.341		NCCCCCCN
Name:HEXANE-1,6-DIAMINE;
1,6-DIAMINOHEXANE
ChEMBL: CHEMBL303004
DrugBank: DB03260
ZINC: ZINC000001543408
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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