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- ChemComp-NEQ: N-ETHYLMALEIMIDE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: NEQ
NameName: N-ethylmaleimide

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Chemical information

Composition
Formula: C6H7NO2 / Number of atoms: 16 / Formula weight: 125.125 / Formal charge: 0
Others

1g86

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NEQ / Model coordinates PDB-ID: 1G86
History
Create componentNov 28, 2000
Modify descriptorJun 4, 2011
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 10.04O=C1C=CC(=O)N1CC
CACTVS 3.341CCN1C(=O)C=CC1=O
OpenEye OEToolkits 1.5.0CCN1C(=O)C=CC1=O

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SMILES CANONICAL

CACTVS 3.341CCN1C(=O)C=CC1=O
OpenEye OEToolkits 1.5.0CCN1C(=O)C=CC1=O

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InChI

InChI 1.03InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3

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InChIKey

InChI 1.03HDFGOPSGAURCEO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-ethyl-1H-pyrrole-2,5-dione
OpenEye OEToolkits 1.5.01-ethylpyrrole-2,5-dione

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PDB entries

Showing all 5 items

PDB-1g86:
CHARCOT-LEYDEN CRYSTAL PROTEIN/N-ETHYLMALEIMIDE COMPLEX

PDB-2puo:
Crystal srtucture of the NEM modified ferredoxin:thioredoxin reductase

PDB-3v61:
Structure of S. cerevisiae PCNA conjugated to SUMO on lysine 164

PDB-3v62:
Structure of the S. cerevisiae Srs2 C-terminal domain in complex with PCNA conjugated to SUMO on lysine 164

PDB-4ozt:
crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (PonA crystal)

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