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Yorodumi- ChemComp-IA0: [(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrol... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IA0 |
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Name | Name: [( |
-Chemical information
Composition | Formula: C27H29FN8O / Number of atoms: 66 / Formula weight: 500.571 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: IA0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z3K | ||||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7z3k:
Autotaxin in complex with orthosteric site-binder CpdA