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- ChemComp-JGD: N,N-dimethylpyridin-4-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: JGD
NameName: N,N-dimethylpyridin-4-amine

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Chemical information

Composition
Formula: C7H10N2 / Number of atoms: 19 / Formula weight: 122.168 / Formal charge: 0
Others

5qdq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JGD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QDQ
History
Create componentSep 10, 2018
Initial releaseOct 10, 2018
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 12.01CN(c1ccncc1)C
CACTVS 3.385CN(C)c1ccncc1
OpenEye OEToolkits 2.0.6CN(C)c1ccncc1

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SMILES CANONICAL

CACTVS 3.385CN(C)c1ccncc1
OpenEye OEToolkits 2.0.6CN(C)c1ccncc1

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InChI

InChI 1.03InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3

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InChIKey

InChI 1.03VHYFNPMBLIVWCW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N-dimethylpyridin-4-amine
OpenEye OEToolkits 2.0.6~{N},~{N}-dimethylpyridin-4-amine

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PDB entries

Showing all 6 items

PDB-5qdq:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000847b

PDB-5qoh:
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with XST00000847b

PDB-5sl8:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762

PDB-7fqv:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000847b

PDB-7frh:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434762

PDB-7hnz:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1245793018

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