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- ChemComp-1KP: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 1KP
NameName: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one

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Chemical information

Composition
Formula: C8H4Cl2N2O2 / Number of atoms: 18 / Formula weight: 231.036 / Formal charge: 0
Others

4j9z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1KP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4J9Z
History
Create componentMar 12, 2013
Other modificationMar 12, 2013
Initial releaseMar 27, 2013
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 12.01Clc1ccc\2c(c1Cl)NC(=O)C/2=N\O
CACTVS 3.370ON=C1C(=O)Nc2c(Cl)c(Cl)ccc12
OpenEye OEToolkits 1.7.6c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl

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SMILES CANONICAL

CACTVS 3.370O\N=C/1C(=O)Nc2c(Cl)c(Cl)ccc/12
OpenEye OEToolkits 1.7.6c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl

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InChI

InChI 1.03InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)

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InChIKey

InChI 1.03CVOUSAVHMDXCKG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits 1.7.66,7-bis(chloranyl)-3-hydroxyimino-1H-indol-2-one

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PDB entries

Showing all 5 items

PDB-4j9z:
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309

PDB-5nqc:
CK2alpha in complex with NMR154

PDB-6ale:
A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model

PDB-9o7s:
Cryo-EM structure of KCa2.2/calmodulin channel in complex with NS309

PDB-9oa8:
Cryo-EM structure of KCa3.1/calmodulin channel in complex with NS309

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