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Yorodumi- ChemComp-9F1: methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-c... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9F1 |
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Name | Name: |
-Chemical information
Composition | Formula: C27H26ClF2N5O4 / Number of atoms: 65 / Formula weight: 557.976 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9F1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5Q0H | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-5q0h:
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate