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- ChemComp-CTI: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: Synonyms: chelerythrine Comment | inhibitor, alkaloid*YM | |
-Chemical information
Composition | |||||||||
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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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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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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
![](data/pdb/img/3arw.jpg)
PDB-3arw:
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine
![](data/pdb/img/3as1.jpg)
PDB-3as1:
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine
![](data/pdb/img/4d9y.jpg)
PDB-4d9y:
The crystal structure of Chelerythrine bound to DNA d(CGTACG)
![](data/pdb/img/4pdz.jpg)
PDB-4pdz:
Crystal Structure of Calcium-loaded S100B bound to SBi4172
![](data/pdb/img/4y29.jpg)
PDB-4y29:
Identification of a novel PPARg ligand that regulates metabolism
![](data/pdb/img/8uiw.jpg)
PDB-8uiw:
yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N