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- ChemComp-BBJ: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl... -
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Open data
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Basic information
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | |||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BBJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WN8 | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | ~{ | |
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-PDB entries
Showing all 4 items
![](data/pdb/img/5wn8.jpg)
PDB-5wn8:
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
![](data/pdb/img/6e40.jpg)
PDB-6e40:
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat
![](data/pdb/img/6ic2.jpg)
PDB-6ic2:
Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII
![](data/pdb/img/6vkg.jpg)
PDB-6vkg:
Human carbonic anhydrase IX mimic with Epacadostat bound