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- ChemComp-MF8: Metformin -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: MF8
NameName: Metformin / Synonyms: N,N-Dimethylimidodicarbonimidic diamide

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Chemical information

Composition
Formula: C4H11N5 / Number of atoms: 20 / Formula weight: 129.164 / Formal charge: 0
Others

5g5j

Type: non-polymer / PDB classification: HETAIN / Three letter code: MF8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5G5J
History
Create componentMay 25, 2016
Initial releaseJun 7, 2017
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CN(C)C(=N)NC(N)=N
OpenEye OEToolkits 1.7.6CN(C)C(=N)NC(=N)N

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SMILES CANONICAL

CACTVS 3.385CN(C)C(=N)NC(N)=N
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\N/C(=N\[H])/N(C)C

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InChI

InChI 1.03InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)

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InChIKey

InChI 1.03XZWYZXLIPXDOLR-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5g5j:
Crystal structure of human CYP3A4 bound to metformin

PDB-8jts:
hOCT1 in complex with metformin in outward open conformation

PDB-8jtt:
hOCT1 in complex with metformin in outward occluded conformation

PDB-8jtv:
hOCT1 in complex with metformin in inward occluded conformation

PDB-8sc4:
Human OCT1 bound to metformin in inward-open conformation

PDB-8z7w:
SLC19A3-Metformin outward structure

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