<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2578</id>
  <title>T3D2537</title>
  <common-name>alpha-Bungarotoxin</common-name>
  <description>alpha-Bungarotoxin is a peptide toxin produced by the Many-banded krait (Bungarus multicinctus). It is a type of ‘±-neurotoxin, a neurotoxic protein that is known to bind irreversibly and competitively to the acetylcholine receptor found at the neuromuscular junction, causing paralysis, respiratory failure and death in the victim.(L1089) ‘±-Bungarotoxin (‘±-BTX) is one of the bungarotoxins, components of the venom of the elapid snake Taiwanese banded krait (Bungarus multicinctus). It has also been shown to play an antagonistic role in the binding of the ‘±7 nicotinic acetylcholine receptor in the brain, and as such has numerous applications in neuroscience research.</description>
  <cas>11032-79-4</cas>
  <pubchem-id>44264212</pubchem-id>
  <chemical-formula nil="true"/>
  <weight>10285.029999999995</weight>
  <appearance>Clear solution.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>&gt;10 mg/mL</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Injection (sting/bite) (L1814)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>alpha-Bungarotoxin binds irreversibly and competitively to muscular and neuronal nicotinic acetylcholine receptors. This produces peripheral paralysis by blocking neuromuscular transmission at the postsynaptic site. (T170)</mechanism-of-toxicity>
  <metabolism>Free toxin may be removed by opsonization via the reticuloendothelial system (primarily the liver and kidneys) or it may be degraded through cellular internalization via the lysosomes. Lysosomes are membrane-enclosed organelles that contain an array of digestive enzymes, including several proteases.</metabolism>
  <toxicity>LD50: 0.108 mg/kg (Subcutaneous, Mouse) (L1830)
LD50: 0.113 mg/kg (Intravenous, Mouse) (L1830)
LD50: 0.08 (Intraperitoneal, Mouse) (L1830)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>alpha-Bungarotoxin is a peptide toxin produced by the Many-banded krait (Bungarus multicinctus). (L1089)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Many-banded krait bites can cause paralysis, respiratory failure and death. (L1089)</health-effects>
  <symptoms>Many-banded krait bites can cause paralysis, respiratory failure and death. (L1089)</symptoms>
  <treatment>An antivenom exists for Many-banded krait venom. (L1044)</treatment>
  <created-at type="dateTime">2009-07-03T22:19:16Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id>P60615</uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>alpha-Bungarotoxin</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id>1ABT</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H]\C1=C([H])\[C@@]2([H])O[C@@]3([H])C[C@@]4([H])O[C@@]([H])(CC(=C)C=O)C[C@]([H])(O)[C@]4(C)O[C@]3([H])C[C@]2([H])O[C@]2([H])C[C@]3(C)O[C@]4(C)CC[C@]5([H])O[C@]6([H])C[C@]7(C)O[C@]8([H])C(C)=CC(=O)O[C@@]8([H])C[C@@]7([H])O[C@@]6([H])C[C@@]([H])(C)[C@@]5([H])O[C@@]4([H])C[C@@]3([H])O[C@@]2(C)C1</moldb-smiles>
  <moldb-formula>C50H70O14</moldb-formula>
  <moldb-inchi>InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1</moldb-inchi>
  <moldb-inchikey>InChIKey=LYTCVQQGCSNFJU-LKGYBJPKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">895.0824</moldb-average-mass>
  <moldb-mono-mass type="decimal">894.476556948</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL216458</chembl-id>
  <chemspider-id>23107257</chemspider-id>
  <structure-image-file-name>1hc9_bio_r_500.jpg</structure-image-file-name>
  <structure-image-content-type>image/jpeg</structure-image-content-type>
  <structure-image-file-size type="integer">35586</structure-image-file-size>
  <structure-image-updated-at type="dateTime">2014-10-14T18:13:09Z</structure-image-updated-at>
  <biodb-id>BSEQ0008456</biodb-id>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
