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- ChemComp-IUR: 5-IODOURACIL -

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Basic information

EntryDatabase: PDB chemical components / ID: IUR
NameName: 5-iodouracil

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Chemical information

Composition
Formula: C4H3IN2O2 / Number of atoms: 12 / Formula weight: 237.983 / Formal charge: 0
Others

1gte

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IUR / Model coordinates PDB-ID: 1GTE
History
Create componentJan 15, 2002
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 10.04IC1=CNC(=O)NC1=O
CACTVS 3.341IC1=CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)I

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SMILES CANONICAL

CACTVS 3.341IC1=CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)I

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InChI

InChI 1.03InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

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InChIKey

InChI 1.03KSNXJLQDQOIRIP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-iodopyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.05-iodo-1H-pyrimidine-2,4-dione

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PDB entries

Showing all 4 items

PDB-1gte:
DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, BINARY COMPLEX WITH 5-IODOURACIL

PDB-1gth:
DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND 5-IODOURACIL

PDB-2wk6:
Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil

PDB-7pcp:
Crystal structure of CD73 in complex with 5-iodouracil in the open form

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