LFN

LUMIFLAVIN

Created:	2006-01-13
Last modified:	2021-03-13

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2 entries where LFN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of LFN

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Chemical Component Summary
Name	LUMIFLAVIN
Synonyms	7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE
Systematic Name (OpenEye OEToolkits)	7,8,10-trimethylbenzo[g]pteridine-2,4-dione
Formula	C₁₃ H₁₂ N₄ O₂
Molecular Weight	256.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C
SMILES	CACTVS	3.341	CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C
Canonical SMILES	CACTVS	3.341	CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C
InChI	InChI	1.03	InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)
InChIKey	InChI	1.03	KPDQZGKJTJRBGU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04726
Name	Lumiflavin
Groups	experimental
Synonyms	7,8,10-Trimethylisoalloxazine Lumiflavin 7,8,10-Trimethylbenzo(g)pteridine-2,4(3H,10H)-dione Lumiflavine
Categories	Biological Factors Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Pigments, Biological Pteridines
CAS number	1088-56-8

Related Resource References

Resource Name	Reference
PubChem	66184
ChEMBL	CHEMBL1233985
ChEBI	CHEBI:43661
CCDC/CSD	YUJGEP, SUNTOK

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.