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- ChemComp-LUM: LUMICHROME -

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Basic information

EntryDatabase: PDB chemical components / ID: LUM
NameName: lumichrome / Synonyms: 7,8-DIMETHYLALLOXAZINE; 6,7-DIMETHYLALLOXAZINE

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Chemical information

Composition
Formula: C12H10N4O2 / Number of atoms: 28 / Formula weight: 242.233 / Formal charge: 0
Others

1he5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LUM / Model coordinates PDB-ID: 1HE5
History
Create componentNov 20, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 10.04O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
CACTVS 3.341Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3

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SMILES CANONICAL

CACTVS 3.341Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3

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InChI

InChI 1.03InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

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InChIKey

InChI 1.03ZJTJUVIJVLLGSP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.047,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.07,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

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PDB entries

Showing all 6 items

PDB-1he5:
Human biliverdin IX beta reductase: NADP/Lumichrome ternary complex

PDB-1s4m:
Crystal structure of flavin binding to FAD synthetase from Thermotoga maritina

PDB-2cc6:
Complexes of Dodecin with Flavin and Flavin-like Ligands

PDB-2cc7:
Complexes of Dodecin with Flavin and Flavin-like Ligands

PDB-6gpv:
Crystal structure of blue-light irradiated miniSOG

PDB-9e6d:
octopus sensory receptor CRT1 bound to Lumichrome

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