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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 Ca3 carbonic anhydrase 3 multiple interactions ISO dorzolamide binds to and results in decreased activity of CA3 protein CTD PMID:17826101 NCBI chr 2:88,126,519...88,136,063
Ensembl chr 2:88,126,667...88,135,410
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G Car2 carbonic anhydrase 2 multiple interactions ISO dorzolamide binds to and results in decreased activity of CA2 protein CTD PMID:17826101 NCBI chr 2:88,097,740...88,112,868
Ensembl chr 2:88,097,720...88,113,029
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        pharmaceutical 19272
          drug 19272
            cardiovascular drug 7613
              antihypertensive agent 1676
                dorzolamide 2
                  dorzolamide hydrochloride 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      chalcogen 19360
                        oxygen atom 19321
                          oxygen molecular entity 19321
                            hydroxides 19066
                              oxoacid 18192
                                chalcogen oxoacid 11479
                                  sulfur oxoacid 11082
                                    sulfonic acid 7331
                                      sulfonic acid derivative 7331
                                        sulfonamide 3167
                                          dorzolamide 2
                                            dorzolamide hydrochloride 2
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