SEQ2FUN

BioLiP

PDB CCD ID: B33
Number of entries in BioLiP: 2
Chemical formula: C11 H27 N3
InChI: InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKey: ZFYULDAPZWEGGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCNCCCNCCCNCC
ACDLabs 10.04N(CCC)CCCNCCCNCC
Name:N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE;
BE3
DrugBank: DB04633
ZINC: ZINC000012504444
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).