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- ChemComp-ME7: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione) -

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Basic information

EntryDatabase: PDB chemical components / ID: ME7
NameName: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)

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Chemical information

Composition
Formula: C10H8N2O4 / Number of atoms: 24 / Formula weight: 220.182 / Formal charge: 0
Others

3qvy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ME7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QVY
History
Create componentMar 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O
CACTVS 3.370O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O
OpenEye OEToolkits 1.7.0C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O

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SMILES CANONICAL

CACTVS 3.370O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O
OpenEye OEToolkits 1.7.0C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O

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InChI

InChI 1.03InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2

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InChIKey

InChI 1.03PUKLCKVOVCZYKF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
OpenEye OEToolkits 1.7.01-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione

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PDB entries

Showing all 5 items

PDB-3qvy:
Crystal structure of the Zn-RIDC1 complex stabilized by BMOE crosslinks

PDB-3qvz:
Crystal structure of the Zn-RIDC1 complex stabilized by BMOE crosslinks cocrystallized in the presence of Cu(II)

PDB-7ojx:
E2 UBE2K covalently linked to donor Ub, acceptor di-Ub, and RING E3 primed for K48-linked Ub chain synthesis

PDB-7qy3:
Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE

PDB-9ff7:
Structure of the BMOE-crosslinked transcription termination factor Rho in the presence of ppGpp; S84C/M405C double mutant

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