SEQ2FUN

BioLiP

PDB CCD ID: NSD
Number of entries in BioLiP: 5
Chemical formula: C6 H17 N3
InChI: InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
InChIKey: OTBHHUPVCYLGQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CN)CNCCCN
ACDLabs 12.01
CACTVS 3.370		NCCCNCCCN
Name:N-(3-aminopropyl)propane-1,3-diamine
ChEMBL: CHEMBL28743
ZINC: ZINC000001529642
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).