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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:dorzolamide
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Accession:CHEBI:4702 term browser browse the term
Definition:5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.
Synonyms:related_synonym: (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;   (4S,6S)-4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide;   (4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;   4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide;   4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda6-thieno[2,3-b]thiopyran-2-sulfonic acid amide;   4S,6S-dorzolamide;   Formula=C10H16N2O4S3;   InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1;   InChIKey=IAVUPMFITXYVAF-XPUUQOCRSA-N;   SMILES=CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
 alt_id: CHEBI:101089;   CHEBI:105798;   CHEBI:42295
 xref: Beilstein:5910880;   CAS:120279-96-1;   DrugBank:DB00869;   Drug_Central:949;   KEGG:C06969;   KEGG:D07871;   LINCS:LSM-5597;   PDBeChem:ETS;   PMID:10762051;   PMID:11229775;   PMID:11425561;   PMID:11906288;   PMID:14611846;   PMID:14684332;   Patent:EP296879;   Patent:US4797413;   Wikipedia:Dorzolamide


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dorzolamide hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Car2 carbonic anhydrase 2 multiple interactions ISO dorzolamide binds to and results in decreased activity of CA2 protein CTD PMID:17826101 NCBI chr 2:86,741,625...86,756,766
Ensembl chr 2:86,741,626...86,756,818 		JBrowse link
G Car3 carbonic anhydrase 3 multiple interactions ISO dorzolamide binds to and results in decreased activity of CA3 protein CTD PMID:17826101 NCBI chr 2:86,770,418...86,780,011
Ensembl chr 2:86,770,420...86,784,280 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19751
    role 19724
      application 19557
        pharmaceutical 19440
          drug 19440
            cardiovascular drug 8488
              antihypertensive agent 1885
                dorzolamide 2
                  dorzolamide hydrochloride 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19751
    subatomic particle 19749
      composite particle 19749
        hadron 19749
          baryon 19749
            nucleon 19749
              atomic nucleus 19749
                atom 19749
                  main group element atom 19698
                    p-block element atom 19698
                      chalcogen 19492
                        oxygen atom 19469
                          oxygen molecular entity 19469
                            hydroxides 19267
                              oxoacid 18632
                                chalcogen oxoacid 11783
                                  sulfur oxoacid 11410
                                    sulfonic acid 7673
                                      sulfonic acid derivative 7673
                                        sulfonamide 3220
                                          dorzolamide 2
                                            dorzolamide hydrochloride 2
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