SEQ2FUN

BioLiP

PDB CCD ID: DRE
Number of entries in BioLiP: 2
Chemical formula: C12 H29 N3
InChI: InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChIKey: MRNZSTMRDWRNNR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCCCCNCCCCCCN
OpenEye OEToolkits 1.5.0C(CCCNCCCCCCN)CCN
Name:N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE;
BIS(HEXAMETHYLENE)TRIAMINE
ChEMBL: CHEMBL318516
DrugBank: DB04684
ZINC: ZINC000001598087
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).