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Yorodumi- ChemComp-AB8: (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(MET... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AB8 |
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Name | Name: ( Synonyms: LFA878; (S)-2-METHYL-BUTYRIC ACID |
-Chemical information
Composition | Formula: C34H48N2O7 / Number of atoms: 91 / Formula weight: 596.754 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AB8 / Model coordinates PDB-ID: 1XDG | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | [( | |
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-PDB entries
Showing all 1 items
PDB-1xdg:
X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution