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Yorodumi- ChemComp-CEL: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENE... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CEL | ||
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Name | Name: Synonyms: CELECOXIB Comment | antiinflammatory, inhibitor*YM | |
-Chemical information
Composition | Formula: C17H14F3N3O2S / Number of atoms: 40 / Formula weight: 381.372 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CEL / Model coordinates PDB-ID: 1OQ5 | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-1oq5:
CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
PDB-3kk6:
Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
PDB-3ln1:
Structure of celecoxib bound at the COX-2 active site
PDB-4fim:
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution
PDB-5jw1:
Crystal structure of Celecoxib bound to S121P murine COX-2 mutant
PDB-7zej:
Crystal structure of the human MGC45594 gene product in complex with celecoxib.