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Yorodumi- ChemComp-4CC: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4CC | ||
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Name | Name: Comment | anticoagulant*YM | |
-Chemical information
Composition | Formula: C25H25N7O3 / Number of atoms: 60 / Formula weight: 471.511 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4CC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YHI | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | [ | |
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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 1.9.2 | |
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-PDB entries
Showing all 6 items
PDB-4jn2:
An Antidote for Dabigatran
PDB-4yhi:
Reversal Agent for Dabigatran
PDB-4yhk:
Reversal Agent for Dabigatran
PDB-4yhm:
Reversal Agent for Dabigatran
PDB-4yho:
Reversal Agent for Dabigatran
PDB-8tqs:
Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.