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- ChemComp-6ZP: 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile -

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Basic information

EntryDatabase: PDB chemical components / ID: 6ZP
NameName: 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile

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Chemical information

Composition
Formula: C23H15N3O / Number of atoms: 42 / Formula weight: 349.385 / Formal charge: 0
Others

5l1f

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6ZP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5L1F
History
Create componentAug 1, 2016
Initial releaseOct 19, 2016
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 12.01N#Cc1ccccc1C3=CC(c2ncccc2)=CN(C3=O)c4ccccc4
CACTVS 3.385O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
OpenEye OEToolkits 2.0.5c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4

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SMILES CANONICAL

CACTVS 3.385O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
OpenEye OEToolkits 2.0.5c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4

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InChI

InChI 1.03InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H

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InChIKey

InChI 1.03PRMWGUBFXWROHD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
OpenEye OEToolkits 2.0.52-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile

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PDB entries

Showing all 6 items

PDB-5l1f:
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor Perampanel

PDB-8fww:
Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and noncompetitive inhibitor perampanel

PDB-8ss6:
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state)

PDB-8ss7:
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state)

PDB-8ss8:
Structure of AMPA receptor GluA2 complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state)

PDB-8ss9:
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state)

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