Terrelumamide B
AlkaPlorer ID: AK093688
Synonym: None
IUPAC Name: methyl 2-[[(2S)-3-hydroxy-2-[(1-methyl-2,4-dioxopteridine-6-carbonyl)amino]propanoyl]amino]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1N=C(O)[C@H](CO)N=C(O)C1=CN=C2C(=N1)C(O)=NC(=O)N2C
InChI: InChI=1S/C19H18N6O7/c1-25-14-13(17(29)24-19(25)31)21-11(7-20-14)15(27)23-12(8-26)16(28)22-10-6-4-3-5-9(10)18(30)32-2/h3-7,12,26H,8H2,1-2H3,(H,22,28)(H,23,27)(H,24,29,31)/t12-/m0/s1
InChIKey: OUIVYIDKZLJROL-LBPRGKRZSA-N
Reference
Lumazine Peptides from the Marine-Derived Fungus Aspergillus terreus
PubChem CID: 139586668
LOTUS: LTS0175476
{NPAtlas: NPA012882
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus terreus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 442.38800000000015
TPSA？: 192.61
MolLogP？: 0.1693999999999997
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sodium/potassium-transporting ATPase | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00351 |
| Staphylococcus aureus | Sortase A | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00351 |
| None | Unchecked | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00351 |