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BioLiP

PDB CCD ID: BFR
Number of entries in BioLiP: 1
Chemical formula: C6 H15 N5
InChI: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKey: XSEUMFJMFFMCIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCNC(=N)N=C(N)N
ACDLabs 12.01C(C)CCN\C(=N)\N=C(/N)N
OpenEye OEToolkits 2.0.6[H]/N=C(\NCCCC)/N=C(N)N
Name:N-butyl-N'-(diaminomethylidene)guanidine;
Buformin
ChEMBL: CHEMBL39736
DrugBank: DB04830
ZINC: ZINC000004097425
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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