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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:maraviroc
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Accession:CHEBI:63608 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4,4-difluorocyclohexanecarboxylic acid and the primary amino group of (1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropylamine. An antiretroviral drug, it prevents the interaction of HIV-1 gp120 and chemokine receptor 5 (CCR5) necessary for CCR5-tropic HIV-1 to enter cells.
Synonyms:exact_synonym: 4,4-difluoro-N-{(1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide
 related_synonym: Formula=C29H41F2N5O;   InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1;   InChIKey=GSNHKUDZZFZSJB-QYOOZWMWSA-N;   SMILES=CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1;   maravirocum
 xref: CAS:376348-65-1;   DrugBank:DB04835;   KEGG:D06670
 xref_mesh: MESH:C502411
 xref: PMID:21134404;   PMID:21383098;   PMID:21393136;   PMID:21505306;   PMID:21595497;   PMID:21692669;   PMID:21987241;   PMID:22017448;   PMID:22034870;   PMID:22064539;   PMID:22090117;   PMID:22118500;   PMID:22174038;   PMID:22236118;   PMID:22247337;   PMID:24419064;   PMID:24651825;   PMID:24652492;   PMID:25017682;   Reaxys:10131963;   Wikipedia:Maraviroc



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maraviroc term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Actn2 actinin alpha 2 multiple interactions EXP [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of ACTN2 mRNA; [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of ACTN2 protein CTD PMID:31023824 NCBI chr13:12,269,426...12,340,732
Ensembl chr13:12,269,426...12,340,760
JBrowse link
G Ccl3 chemokine (C-C motif) ligand 3 multiple interactions ISO maraviroc inhibits the reaction [CCL3 protein binds to CCR5 protein] CTD PMID:15644495 NCBI chr11:83,647,843...83,649,378
Ensembl chr11:83,647,844...83,649,355
JBrowse link
G Ccl5 chemokine (C-C motif) ligand 5 multiple interactions ISO maraviroc inhibits the reaction [CCL5 protein binds to CCR5 protein] CTD PMID:15644495 NCBI chr11:83,525,778...83,530,518
Ensembl chr11:83,525,778...83,530,518
JBrowse link
G Ccr5 chemokine (C-C motif) receptor 5 multiple interactions ISO maraviroc binds to and results in decreased activity of CCR5 protein; maraviroc inhibits the reaction [CCL3 protein binds to CCR5 protein]; maraviroc inhibits the reaction [CCL5 protein binds to CCR5 protein] CTD PMID:15644495 PMID:21128663 NCBI chr 9:124,121,543...124,127,183
Ensembl chr 9:124,121,543...124,147,699
JBrowse link
G Col1a1 collagen, type I, alpha 1 multiple interactions EXP [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in decreased expression of COL1A1 mRNA CTD PMID:31023824 NCBI chr11:94,936,224...94,953,042
Ensembl chr11:94,936,224...94,953,042
JBrowse link
G Col1a2 collagen, type I, alpha 2 multiple interactions EXP [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in decreased expression of COL1A2 mRNA CTD PMID:31023824 NCBI chr 6:4,505,618...4,541,543
Ensembl chr 6:4,504,814...4,541,544
JBrowse link
G Myh6 myosin, heavy polypeptide 6, cardiac muscle, alpha multiple interactions EXP [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of MYH6 mRNA CTD PMID:31023824 NCBI chr14:54,941,921...54,968,017
Ensembl chr14:54,941,921...54,966,927
JBrowse link
G Ryr2 ryanodine receptor 2, cardiac multiple interactions EXP [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of RYR2 mRNA CTD PMID:31023824 NCBI chr13:11,553,099...12,106,945
Ensembl chr13:11,553,102...12,106,945
JBrowse link
G Tnnt2 troponin T2, cardiac multiple interactions EXP [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of TNNT2 mRNA; [BX 471 co-treated with C 021 compound co-treated with Maraviroc] results in increased expression of TNNT2 protein CTD PMID:31023824 NCBI chr 1:135,836,315...135,852,268
Ensembl chr 1:135,836,354...135,852,260
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21797
    role 21776
      biological role 21774
        antimicrobial agent 18463
          antiviral agent 10739
            antiviral drug 1887
              maraviroc 9
Path 2
Term Annotations click to browse term
  CHEBI ontology 21797
    subatomic particle 21783
      composite particle 21783
        hadron 21783
          baryon 21783
            nucleon 21783
              atomic nucleus 21783
                atom 21783
                  main group element atom 21701
                    p-block element atom 21701
                      carbon group element atom 21514
                        carbon atom 21416
                          organic molecular entity 21416
                            organic group 19994
                              organic divalent group 19981
                                organodiyl group 19981
                                  carbonyl group 19974
                                    carbonyl compound 19974
                                      carboxylic acid 19284
                                        carboacyl group 18089
                                          univalent carboacyl group 18089
                                            carbamoyl group 17874
                                              carboxamide 17874
                                                monocarboxylic acid amide 15264
                                                  maraviroc 9
paths to the root