+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MF8 | ||
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Name | Name: Comment | medication, antipsychotic*YM | |
-Chemical information
Composition | Formula: C4H11N5 / Number of atoms: 20 / Formula weight: 129.164 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: MF8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5G5J | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 5 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