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- ChemComp-BVF: 4-METHYLPYRIDIN-2-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: BVF
NameName: 4-methylpyridin-2-amine / Synonyms: 2-AMINO-4-PICOLINE

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Chemical information

Composition
Formula: C6H8N2 / Number of atoms: 16 / Formula weight: 108.141 / Formal charge: 0
Others

2eut

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BVF / Model coordinates PDB-ID: 2EUT
History
Create componentNov 8, 2005
Modify descriptorJun 4, 2011
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

ACDLabs 10.04n1ccc(cc1N)C
CACTVS 3.341Cc1ccnc(N)c1
OpenEye OEToolkits 1.5.0Cc1ccnc(c1)N

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SMILES CANONICAL

CACTVS 3.341Cc1ccnc(N)c1
OpenEye OEToolkits 1.5.0Cc1ccnc(c1)N

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InChI

InChI 1.03InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)

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InChIKey

InChI 1.03ORLGLBZRQYOWNA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-methylpyridin-2-amine
OpenEye OEToolkits 1.5.04-methylpyridin-2-amine

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PDB entries

Showing all 4 items

PDB-2eut:
Cytochrome c peroxidase (CCP) in complex with 2-amino-4-picoline

PDB-3e67:
Murine inos dimer with inhibitor 4-MAP bound

PDB-5rvl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580

PDB-7hru:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z203045032

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