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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: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;   DrugBank:DB06196
 xref_mesh: MESH:C065679
 xref: PMID:21959973;   PMID:22142018;   PMID:22386830;   PMID:22434085;   PMID:22435954;   PMID:22507340;   PMID:22519593;   PMID:22522852;   PMID:22552531;   PMID:22577166;   PMID:22577920;   PMID:22584193;   PMID:22686628;   PMID:22691903;   PMID:22797560;   PMID:22830287;   PMID:22904641;   PMID:22936825;   PMID:22958093;   PMID:22970904;   Reaxys:8185933;   Wikipedia:Icatibant


show annotations for term's descendants           Sort by:
icatibant term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G KNG1 kininogen 1 decreases activity EXP icatibant results in decreased activity of KNG1 protein modified form CTD PMID:7890486 NCBI chr13:124,521,276...124,557,384
Ensembl chr13:124,521,340...124,557,958 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5162
    role 5116
      biological role 5116
        biochemical role 5052
          peptidomimetic 1
            icatibant 1
              icatibant acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5162
    subatomic particle 5153
      composite particle 5153
        hadron 5140
          baryon 5140
            nucleon 5153
              atomic nucleus 5140
                atom 5153
                  main group element atom 5125
                    p-block element atom 5122
                      carbon group element atom 5028
                        carbon atom 5039
                          organic molecular entity 5039
                            heteroorganic entity 4883
                              organochalcogen compound 4837
                                organooxygen compound 4789
                                  carbon oxoacid 393
                                    carboxylic acid 389
                                      carboacyl group 211
                                        univalent carboacyl group 211
                                          carbamoyl group 206
                                            carboxamide 208
                                              peptide 53
                                                oligopeptide 29
                                                  icatibant 1
                                                    icatibant acetate 0
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