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Yorodumi- ChemComp-ETS: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)TH... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ETS | ||
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Name | Name: ( Synonyms: Dorzolamide Comment | medication*YM | |
-Chemical information
Composition | Formula: C10H16N2O4S3 / Number of atoms: 35 / Formula weight: 324.44 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ETS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1CIL | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / 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 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | ( | |
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-PDB entries
Showing all 6 items
PDB-1cil:
THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS
PDB-3fw3:
Crystal Structure of soluble domain of CA4 in complex with Dorzolamide
PDB-4k13:
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with dorzolamide
PDB-4m2u:
Carbonic Anhydrase II in complex with Dorzolamide
PDB-4m2w:
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
PDB-6bc9:
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide