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DB01226 : mivacurium

Approved drug mivacurium ... 4 targets DB01226

Generic name: mivacurium
 
Brand name(s): mivacron.
Formula: C58H80N2O14
IUPAC Formula: (1r)-2-(3-{[(4e)-8-{3-[(1r)-6,7-Dimethoxy-2-Methyl-1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-
Tetrahydroisoquinolin-2-Ium-2-Yl]propoxy}-8-Oxooct-4-Enoyl]oxy}propyl)-6,7-Dimethoxy-2-Methyl-1-
[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-Tetrahydroisoquinolin-2-Ium

4
There are 4 target proteins defined in DrugBank for this drug.
 3 
3 of these target proteins have one or more structures in the PDB.
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Target proteins

DrugBank drug Target 1:   UniProt id: Q15822 (ACHA2_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-2
UniProt id: Q15822    529 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 2:   UniProt id: P08172 (ACM2_HUMAN)  -  Muscarinic acetylcholine receptor M2
UniProt id: P08172    465 a.a.  
1. 4mqs A     277 a.a. 277   X-ray 3.50 Å
  2. 4mqt A     275 a.a. 275   X-ray 3.70 Å
  3. 1lub A     50 a.a. 49   Theor. model
There are no PDB entries containing mivacurium bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P20309 (ACM3_HUMAN)  -  Muscarinic acetylcholine receptor M3
UniProt id: P20309    589 a.a.  
2csa A     19 a.a. 19   NMR  
There are no PDB entries containing mivacurium bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 4:   UniProt id: P06276 (CHLE_HUMAN)  -  Cholinesterase
UniProt id: P06276    601 a.a.  
1. 3o9m A,B     531 a.a. 531   X-ray 2.98 Å
  2. 4tpk A,B     528 a.a. 528   X-ray 2.70 Å
  3. 4aqd A,B     527 a.a. 527   X-ray 2.50 Å
  4. 2pm8 A,B     530 a.a. 527   X-ray 2.80 Å
  5. 2wij A     527 a.a. 524   X-ray 2.10 Å
   more ...
There are no PDB entries containing mivacurium bound to this target protein, although there are 39 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

 

Structure selection

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