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- ChemComp-LOT: 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LOT
NameName: 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide

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Chemical information

Composition
Formula: C9H9N3O4S / Number of atoms: 26 / Formula weight: 255.25 / Formal charge: 0
Others

6sov

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LOT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SOV
History
Create componentAug 30, 2019
Initial releaseOct 2, 2019
External linksUniChem / ChemSpider / PubChem / 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 3.385N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O
OpenEye OEToolkits 2.0.7c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O
OpenEye OEToolkits 2.0.7c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O

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InChI

InChI 1.03InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16)

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InChIKey

InChI 1.03LBSDOHDMKVMJLR-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-6sov:
Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha

PDB-6sp9:
Fragment KCL802 in complex with MAP kinase p38-alpha

PDB-6y7y:
Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha

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