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Yorodumi- ChemComp-CTI: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CTI | ||||
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Name | Name: Synonyms: chelerythrine Wikipedia | Wikipedia - Chelerythrine: Chelerythrine is a benzophenanthridine alkaloid present in the plant Chelidonium majus (greater celandine). It is a potent, selective, and cell-permeable protein kinase C inhibitor in vitro... | Comment | inhibitor, alkaloid*YM | |
-Chemical information
Composition | Formula: C21H18NO4 / Number of atoms: 44 / Formula weight: 348.372 / Formal charge: 1 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CTI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ARW | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / GtoPharmacology / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 6 items
PDB-3arw:
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine
PDB-3as1:
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine
PDB-4d9y:
The crystal structure of Chelerythrine bound to DNA d(CGTACG)
PDB-4pdz:
Crystal Structure of Calcium-loaded S100B bound to SBi4172
PDB-4y29:
Identification of a novel PPARg ligand that regulates metabolism
PDB-8uiw:
yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N