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- ChemComp-K8W: 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide -

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Basic information

EntryDatabase: PDB chemical components / ID: K8W
NameName: 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide

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Chemical information

Composition
Formula: C15H14N4S / Number of atoms: 34 / Formula weight: 282.363 / Formal charge: 0
Others

6rm5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K8W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RM5
History
Create componentMay 6, 2019
Initial releaseJun 17, 2020
External linksUniChem / ChemSpider / 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

CACTVS 3.385Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
OpenEye OEToolkits 2.0.7Cc1ccc(nc1N)c2cccc3c2sc(c3)C(=N)N

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N

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InChI

InChI 1.03InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)

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InChIKey

InChI 1.03WXGXCTAHOSYPBQ-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6rm5:
Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface

PDB-7nn2:
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41

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