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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:(+)-butaclamol
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Accession:CHEBI:73298 term browser browse the term
Definition:An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups.
Synonyms:exact_synonym: (3R,4aR,13bR)-3-tert-butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
 related_synonym: Formula=C25H31NO;   InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1;   InChIKey=ZZJYIKPMDIWRSN-TZBSWOFLSA-N;   SMILES=[H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C;   d-Butaclamol
 xref: CAS:56245-67-1
 xref_mesh: MESH:D002069
 xref: PMID:22588261;   PMID:23035552;   PMID:23597562;   PMID:2418852;   PMID:436760;   PMID:6167812;   Patent:US2012035203;   Patent:WO2010129273;   Reaxys:5767449;   Wikipedia:Butaclamol


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(+)-butaclamol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd2 dopamine receptor D2 affects binding EXP Butaclamol binds to DRD2 protein CTD PMID:18457824 NCBI chr 8:49,708,927...49,772,876
Ensembl chr 8:49,708,927...49,772,875 		JBrowse link
G Drd3 dopamine receptor D3 multiple interactions ISO Butaclamol inhibits the reaction [Dopamine results in increased activity of DRD3 protein] CTD PMID:31323226 NCBI chr11:56,879,689...56,931,901
Ensembl chr11:56,879,689...56,940,596 		JBrowse link
G Drd4 dopamine receptor D4 affects binding EXP Butaclamol binds to Drd4 protein RGD PMID:8078498 RGD:7248459 NCBI chr 1:196,396,366...196,400,824
Ensembl chr 1:196,396,366...196,399,553 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Butaclamol results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        pharmacological role 19058
          antagonist 17239
            dopaminergic antagonist 1637
              (+)-butaclamol 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    main group molecular entity 19789
                      s-block molecular entity 19626
                        hydrogen molecular entity 19613
                          hydrides 19120
                            inorganic hydride 18118
                              pnictogen hydride 18107
                                nitrogen hydride 18014
                                  azane 17824
                                    ammonia 17823
                                      organic amino compound 17823
                                        tertiary amino compound 10142
                                          (+)-butaclamol 4
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