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Yorodumi- ChemComp-5XY: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5XY |
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Name | Name: |
-Chemical information
Composition | Formula: C24H24N8O2S2 / Number of atoms: 60 / Formula weight: 520.63 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5XY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FI6 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 |
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-PDB entries
Showing all 1 items
PDB-5fi6:
Crystal structure of human GAC in complex with inhibitor UPGL_00011: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide