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Yorodumi- ChemComp-VRD: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VRD | ||
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Name | Name: ({ Synonyms: Varespladib Comment | antiinflammatory, inhibitor*YM | |
-Chemical information
Composition | Formula: C21H20N2O5 / Number of atoms: 48 / Formula weight: 380.394 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VRD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PWH | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / 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 3.385 | 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 3 items
PDB-6pwh:
Cystal structure of Myotoxin II from Bothrops moojeni co-crystallized with Varespladib (LY315920)
PDB-7lye:
Myotoxin I from Bothrops moojeni co-crystallized with synthetic inhibitor Varespladib (LY315920)
PDB-8dnd:
Crystal structure of Bothrops pirajai Piratoxin-I (PrTX-I) and synthetic inhibitor Varespladib (LY315920)