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BioLiP

PDB CCD ID: MF8
Number of entries in BioLiP: 4
Chemical formula: C4 H11 N5
InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN(C)C(=N)NC(=N)N
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\N/C(=N\[H])/N(C)C
CACTVS 3.385CN(C)C(=N)NC(N)=N
Name:Metformin;
N,N-Dimethylimidodicarbonimidic diamide
ChEMBL: CHEMBL1431
DrugBank: DB00331
ZINC: ZINC000012859773
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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