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Yorodumi- ChemComp-9YA: 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9YA |
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Name | Name: |
-Chemical information
Composition | Formula: C30H26N4O4S2 / Number of atoms: 66 / Formula weight: 570.682 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9YA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5W8L | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / 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 2.0.6 | |
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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 1 items
PDB-5w8l:
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH