SEQ2FUN

BioLiP

PDB CCD ID: GC7
Number of entries in BioLiP: 6
Chemical formula: C8 H22 N4
InChI: InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2
InChIKey: SKGAVCHIFDRDTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04NC(N)NCCCCCCCN
OpenEye OEToolkits 1.5.0C(CCCN)CCCNC(N)N
CACTVS 3.341NCCCCCCCNC(N)N
Name:1-GUANIDINIUM-7-AMINOHEPTANE
DrugBank: DB03639
ZINC: ZINC000019331254
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).