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Yorodumi- ChemComp-XMS: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XMS |
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Name | Name: ( |
-Chemical information
Composition | Formula: C16H14ClN3O2 / Number of atoms: 36 / Formula weight: 315.754 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: XMS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FNR | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.7.6 | ( |
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-PDB entries
Showing all 1 items
PDB-5fnr:
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.