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BioLiP

PDB CCD ID: FXT
Number of entries in BioLiP: 0
Chemical formula: C7 H18 N6
InChI: InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
InChIKey: FIHKQNOFFQZHRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NCCCCCNC(=N)N
CACTVS 3.385NC(=N)NCCCCCNC(N)=N
OpenEye OEToolkits 2.0.6C(CCNC(=N)N)CCNC(=N)N
Name:1-(5-carbamimidamidopentyl)guanidine
ChEMBL: CHEMBL101996
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)(download the PDF file).
  • 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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