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- ChemComp-LUZ: pteridine-2,4(1H,3H)-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: LUZ
NameName: pteridine-2,4(1H,3H)-dione
Synonyms: Lumazine; 2,4-dihydroxypteridine; 2,4-pteridinediol

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Chemical information

Composition
Formula: C6H4N4O2 / Number of atoms: 16 / Formula weight: 164.122 / Formal charge: 0
Others

3etr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LUZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ETR
History
Create componentOct 14, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
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=C2c1nccnc1NC(=O)N2
CACTVS 3.341O=C1NC(=O)c2nccnc2N1
OpenEye OEToolkits 1.5.0c1cnc2c(n1)C(=O)NC(=O)N2

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SMILES CANONICAL

CACTVS 3.341O=C1NC(=O)c2nccnc2N1
OpenEye OEToolkits 1.5.0c1cnc2c(n1)C(=O)NC(=O)N2

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InChI

InChI 1.03InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)

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InChIKey

InChI 1.03UYEUUXMDVNYCAM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04pteridine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.01H-pteridine-2,4-dione

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PDB entries

Showing all 4 items

PDB-3etr:
Crystal structure of xanthine oxidase in complex with lumazine

PDB-5ph9:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09701a

PDB-5sx8:
Crystal Structure of PI3Kalpha in complex with fragments 12 and 15

PDB-6v43:
Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism

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