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- ChemComp-4AP: 4-AMINOPYRIDINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 4AP
NameName: 4-aminopyridine

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Chemical information

Composition
Formula: C5H7N2 / Number of atoms: 14 / Formula weight: 95.122 / Formal charge: 1
Others

1aeg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4AP / Model coordinates PDB-ID: 1AEG
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Nikkaji / PubChem / 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 10.04Nc1cc[nH+]cc1
CACTVS 3.341Nc1cc[nH+]cc1
OpenEye OEToolkits 1.5.0c1c[nH+]ccc1N

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SMILES CANONICAL

CACTVS 3.341Nc1cc[nH+]cc1
OpenEye OEToolkits 1.5.0c1c[nH+]ccc1N

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InChI

InChI 1.03InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/p+1

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InChIKey

InChI 1.03NUKYPUAOHBNCPY-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.044-aminopyridinium
OpenEye OEToolkits 1.5.0pyridin-1-ium-4-amine

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PDB entries

Showing all 5 items

PDB-1aeg:
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (4-AMINOPYRIDINE)

PDB-3rxf:
Crystal structure of Trypsin complexed with 4-aminopyridine

PDB-5s4a:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z955123498

PDB-8dhm:
Human TMEM175 in complex with 4-aminopyridine

PDB-9hsz:
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-aminopyridine

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