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BioLiP

PDB CCD ID: FXQ
Number of entries in BioLiP: 0
Chemical formula: C6 H16 N6
InChI: InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKey: HGMDNMBBCKDWTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)NCCCCNC(N)=N
OpenEye OEToolkits 2.0.6[H]/N=C(/N)\NCCCCNC(=N)N
OpenEye OEToolkits 2.0.6C(CCNC(=N)N)CNC(=N)N
Name:1-(4-carbamimidamidobutyl)guanidine
ChEMBL: CHEMBL102740
ZINC: ZINC000001529581
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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