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BioLiP

PDB CCD ID: 026
Number of entries in BioLiP: 0
Chemical formula: C7 H17 N3
InChI: InChI=1S/C7H17N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1-8H2
InChIKey: UVLSCMIEPPWCHZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CN(CCN1)CCCN
ACDLabs 12.01N1CCN(CCCN)CC1
CACTVS 3.370NCCCN1CCNCC1
Name:3-(piperazin-1-yl)propan-1-amine
ZINC: ZINC000022029129
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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