SEQ2FUN

BioLiP

PDB CCD ID: AG2
Number of entries in BioLiP: 75
Chemical formula: C5 H14 N4
InChI: InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChIKey: QYPPJABKJHAVHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCCCNC(N)=N
ACDLabs 10.04[N@H]=C(N)NCCCCN
OpenEye OEToolkits 1.5.0C(CCNC(=N)N)CN
Name:AGMATINE;
(4-AMINOBUTYL)GUANIDINE
ChEMBL: CHEMBL58343
DrugBank: DB08838
ZINC: ZINC000001532560
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).