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- ChemComp-SKO: N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'... -

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Basic information

EntryDatabase: PDB chemical components / ID: SKO
NameName: N'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-N,N'-dimethyl-ethane-1,2-diamine

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Chemical information

Composition
Formula: C17H25N5 / Number of atoms: 47 / Formula weight: 299.414 / Formal charge: 0
Others

4ugi

Type: non-polymer / PDB classification: HETAIN / Three letter code: SKO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UGI
History
Create componentMar 22, 2015
Initial releaseJun 24, 2015
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

CACTVS 3.385CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
OpenEye OEToolkits 1.7.6Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC

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SMILES CANONICAL

CACTVS 3.385CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
OpenEye OEToolkits 1.7.6Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC

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InChI

InChI 1.03InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)

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InChIKey

InChI 1.03AVQUEPVPLWZPMB-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6N'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-N,N'-dimethyl-ethane-1,2-diamine

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PDB entries

Showing all 2 items

PDB-4ugi:
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)-N1,N2- dimethylethane-1,2-diamine

PDB-4uh0:
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2- yl)-N1,N2-dimethylethane-1,2-diamine

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