SEQ2FUN

BioLiP

PDB CCD ID: HLG
Number of entries in BioLiP: 1
Chemical formula: C9 H21 N3 O
InChI: InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
InChIKey: MQTAVJHICJWXBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)NCCCNCCCCN
ACDLabs 12.01CC(NCCCNCCCCN)=O
Name:N-{3-[(4-aminobutyl)amino]propyl}acetamide
ChEMBL: CHEMBL176800
ZINC: ZINC000001532698
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).