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- ChemComp-GQJ: methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidin... -

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Basic information

EntryDatabase: PDB chemical components / ID: GQJ
NameName: methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

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Chemical information

Composition
Formula: C11H13NO5 / Number of atoms: 30 / Formula weight: 239.225 / Formal charge: 0
Others

5qhn

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GQJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QHN
History
Create componentMay 31, 2018
Initial releaseDec 19, 2018
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

CACTVS 3.385COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
OpenEye OEToolkits 2.0.6COC(=O)C1CC(CN1C(=O)c2ccco2)O

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SMILES CANONICAL

CACTVS 3.385COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c2occc2
OpenEye OEToolkits 2.0.6COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O

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InChI

InChI 1.03InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1

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InChIKey

InChI 1.03GVYWVRYDCMRUCE-SFYZADRCSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

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PDB entries

Showing all 6 items

PDB-5qhn:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000622a

PDB-5qj6:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1614545742

PDB-5r52:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14004a

PDB-5rm8:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1614545742

PDB-5s9t:
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742

PDB-7hnu:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1614545742

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