SEQ2FUN

BioLiP

PDB CCD ID: X5A
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2 O
InChI: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
InChIKey: KLZGKIDSEJWEDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)NCCCCN
ACDLabs 12.01CC(NCCCCN)=O
Name:N-(4-aminobutyl)acetamide;
N-Acetylputrescine
ChEMBL: CHEMBL81241
ZINC: ZINC000001529505
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).