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Yorodumi- ChemComp-Z81: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Z81 |
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Name | Name: ( Synonyms: 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID |
-Chemical information
Composition | Formula: C21H16F2N4O / Number of atoms: 44 / Formula weight: 378.375 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z81 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LHG | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-3lhg:
Bace1 in complex with the aminohydantoin Compound 4g