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- ChemComp-2MZ: 2-METHYLIMIDAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: 2MZ
NameName: 2-methylimidazole

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Chemical information

Composition
Formula: C4H6N2 / Number of atoms: 12 / Formula weight: 82.104 / Formal charge: 0
Others

1aeu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2MZ / Model coordinates PDB-ID: 1AEU
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04n1ccnc1C
CACTVS 3.341Cc1[nH]ccn1
OpenEye OEToolkits 1.5.0Cc1[nH]ccn1

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SMILES CANONICAL

CACTVS 3.341Cc1[nH]ccn1
OpenEye OEToolkits 1.5.0Cc1[nH]ccn1

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InChI

InChI 1.03InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)

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InChIKey

InChI 1.03LXBGSDVWAMZHDD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-methyl-1H-imidazole
OpenEye OEToolkits 1.5.02-methyl-1H-imidazole

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PDB entries

Showing all 2 items

PDB-1aeu:
SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE)

PDB-4hew:
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure

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