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Yorodumi- ChemComp-UBK: (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimet... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: UBK |
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Name | Name: ( |
-Chemical information
Composition | Formula: C35H41N3O8S / Number of atoms: 88 / Formula weight: 663.78 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: UBK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8CCG | ||||
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-8ccg:
The Fk1 domain of FKBP51 in complex with (2R,5S,12S)-12-(thiophen-2-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone