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Yorodumi- ChemComp-V3S: (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxa... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: V3S |
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Name | Name: ( |
-Chemical information
Composition | Formula: C16H21N5O2 / Number of atoms: 44 / Formula weight: 315.37 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: V3S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6XIH | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | ( | |
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-PDB entries
Showing all 1 items
PDB-6xih:
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile