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ONTOLOGY REPORT - ANNOTATIONS


Term:icatibant
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Accession:CHEBI:68556 term browser browse the term
Definition:A ten-membered synthetic oligopeptide consisting of D-Arg, Arg, Pro, Hyp, Gly, Thi, Ser, D-Tic, Oic, and Arg residues joined in sequrence. A bradykinin receptor antagonist used as its acetate salt for the treatment of acute attacks of hereditary angioedema in adult patients.
Synonyms:exact_synonym: (2S)-2-({[(2S,3aS,7aS)-1-({(3R)-2-[(2S)-2-{[(2S)-2-[2-({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}carbonyl)-4-hydroxypyrrolidin-2-yl]carbonyl}amino)acetamido]-3-(thiophen-2-yl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)octahydro-1H-indol-2-yl]carbonyl}amino)-5-carbamimidamidopentanoic acid
 related_synonym: D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-L-arginine;   Formula=C59H89N19O13S;   H-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser-D-Tic-Oic-Arg-OH;   InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1;   InChIKey=QURWXBZNHXJZBE-SKXRKSCCSA-N;   SMILES=N1(C([C@@H](NC([C@@H](CCCNC(=N)N)N)=O)CCCNC(N)=N)=O)[C@@H](CCC1)C(N2C[C@@H](C[C@H]2C(NCC(N[C@H](C(N[C@H](C(N3CC=4C(C[C@@H]3C(N5[C@@H](C[C@]6([C@@]5(CCCC6)[H])[H])C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=CC=CC4)=O)CO)=O)CC7=CC=CS7)=O)=O)O)=O;   icatibanto;   icatibantum
 xref: CAS:130308-48-4 "ChemIDplus";   DrugBank:DB06196
 xref_mesh: MESH:C065679
 xref: PMID:21959973 "Europe PMC";   PMID:22142018 "Europe PMC";   PMID:22386830 "Europe PMC";   PMID:22434085 "Europe PMC";   PMID:22435954 "Europe PMC";   PMID:22507340 "Europe PMC";   PMID:22519593 "Europe PMC";   PMID:22522852 "Europe PMC";   PMID:22552531 "Europe PMC";   PMID:22577166 "Europe PMC";   PMID:22577920 "Europe PMC";   PMID:22584193 "Europe PMC";   PMID:22686628 "Europe PMC";   PMID:22691903 "Europe PMC";   PMID:22797560 "Europe PMC";   PMID:22830287 "Europe PMC";   PMID:22904641 "Europe PMC";   PMID:22936825 "Europe PMC";   PMID:22958093 "Europe PMC";   PMID:22970904 "Europe PMC";   Reaxys:8185933 "Reaxys";   Wikipedia:Icatibant


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icatibant term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Bdkrb2 bradykinin receptor B2 JBrowse link 6 129,399,468 129,429,676 RGD:6480464
G Icam1 intercellular adhesion molecule 1 JBrowse link 8 22,035,287 22,047,049 RGD:6480464
G Klk1 kallikrein 1 JBrowse link 1 100,131,562 100,135,556 RGD:6480464
G Kng2 kininogen 2 JBrowse link 11 81,509,185 81,516,759 RGD:6480464
G Mapk3 mitogen activated protein kinase 3 JBrowse link 1 198,192,773 198,198,975 RGD:6480464
G Mapk8 mitogen-activated protein kinase 8 JBrowse link 16 9,620,854 9,709,342 RGD:6480464
G Plat plasminogen activator, tissue type JBrowse link 16 74,098,263 74,122,897 RGD:6480464
G Ptgs2 prostaglandin-endoperoxide synthase 2 JBrowse link 13 67,351,230 67,356,920 RGD:6480464
G Tac1 tachykinin, precursor 1 JBrowse link 4 33,638,853 33,646,819 RGD:6480464
G Tgfb1 transforming growth factor, beta 1 JBrowse link 1 82,480,875 82,497,196 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        biochemical role 19138
          peptidomimetic 13
            icatibant 10
              icatibant acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                peptide 9297
                                                  oligopeptide 1070
                                                    icatibant 10
                                                      icatibant acetate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.