Reaction Details Report a problem with these data
Target
Alpha-bungarotoxin
Ligand
BDBM50054820
Substrate
n/a
Ki
7.9±n/a nM
Comments
PDSP_1228
Citation
 Quik, M; Choremis, J; Komourian, J; Lukas, RJ; Puchacz, E Similarity between rat brain nicotinic alpha-bungarotoxin receptors and stably expressed alpha-bungarotoxin binding sites. J Neurochem 67:145-54 (1996) [PubMed]  Article 
Target
Name:
Alpha-bungarotoxin
Synonyms:
3L21A_BUNMU | Alpha-bungarotoxin isoform A31 | Nicotinic Alpha-Bungarotoxin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
10289.10
Organism:
Bungarus multicinctus
Description:
Nicotinic Alpha-Bungarotoxin 0 RAT::P60615
Residue:
95
Sequence:
MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG
  
Inhibitor
Name:
BDBM50054820
Synonyms:
Methyllycaconitine | [(1S,4S,5R,6S,8R,9R,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
Type:
Small organic molecule
Emp. Form.:
C37H50N2O10
Mol. Mass.:
682.8003
SMILES:
CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,42.46,36.39,44.48,39.43,wD:28.55,32.34,25.27,31.32,TLB:28:29:32:36.38.39,1:2:47:25.23.24,25:28:42.44:4.2.3,THB:42:48:47:25.23.24,29:28:42.44:4.2.3,2:48:36.35.29:47.44,(3.83,-6.7,;5.61,-4.92,;8.1,-4.92,;7.12,-7.5,;8.22,-6.42,;8.22,-7.94,;7.82,-9.45,;8.61,-10.78,;9.94,-10.01,;8.62,-12.33,;7.29,-13.1,;7.29,-14.64,;8.62,-15.41,;9.95,-14.64,;9.95,-13.1,;11.49,-13.09,;12.9,-13.7,;13.3,-15.19,;13.93,-12.55,;13.14,-11.22,;13.91,-9.88,;11.64,-11.55,;10.86,-10.2,;6.88,-5.65,;6.87,-4.11,;8.21,-3.34,;8.2,-1.8,;6.87,-1.03,;9.54,-4.11,;10.5,-3.18,;10.3,-1.71,;11.64,-1.06,;12.67,-2.15,;14.21,-2.15,;14.96,-3.46,;11.97,-3.45,;12.65,-4.9,;13.98,-5.67,;16.6,-3.1,;16.6,-1.56,;17.69,-.47,;19.02,-1.24,;11.93,-6.28,;12.7,-7.59,;10.46,-6.53,;10.06,-8.01,;11.39,-8.78,;9.55,-5.63,;9.53,-2.57,)|
Structure:
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