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BioLiP

PDB CCD ID: GZZ
Number of entries in BioLiP: 3
Chemical formula: C18 H41 N7
InChI: InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
InChIKey: RONFGUROBZGJKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N
CACTVS 3.341NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
ACDLabs 10.04[N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]N=C(N)NCCCCCCCCNCCCCCCCCNC(=N[H])N
Name:N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE;
GUAZATINE
ChEMBL: CHEMBL102276
ZINC: ZINC000004098976
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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