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Yorodumi- ChemComp-I3Q: (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)met... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I3Q |
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Name | Name: (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20- ...Name: ( Synonyms: Macrocyclic Inhibitor JOMBt |
-Chemical information
Composition | Formula: C34H45N7O8 / Number of atoms: 94 / Formula weight: 679.763 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: I3Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7TGS | ||||
History |
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External links | UniChem / PubChem / ChemSpider / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | ( | |
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-PDB entries
Showing all 1 items
PDB-7tgs:
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt