SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H28 N4 O

InChI:

InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)

InChIKey:

GUNURVWAJRRUAV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(NCCCNCCCCNCCCN)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(=O)NCCCNCCCCNCCCN

Name:

N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide;
N1-AcSpermine

ChEMBL:

ZINC:

ZINC000003870097

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).