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DB01336 : metocurine

Approved drug metocurine ... 2 targets DB01336

Generic name: metocurine PDB Het Group: CU9
 
1 structure in PDB
Brand name(s): none.
Formula: C40H48N2O6
IUPAC Formula: (1s,16r)-9,10,21,25-Tetramethoxy-15,15,30,30-Tetramethyl-7,23-Dioxa-15,30-
Diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{18,22}.0^{27,31}.0^{16,34}]hexatriaconta-
3,5,8,10,12(34),18(33),19,21,24(32),25,27(31),35-Dodecaene-15,30-Diium
PDB name: 6,6',7',12'-Tetramethoxy-2,2,2',2'-Tetramethyltubocuraran-2,2'-Diium

2
There are 2 target proteins defined in DrugBank for this drug.
 1 
1 of these target proteins has one or more structures in the PDB.
 1 
There is 1 PDB structure containing the drug molecule bound to a protein that is not specified as a target.
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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 metocurine bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with metocurine bound in the PDB

There is 1 "non-target" protein in the PDB containing the metocurine molecule bound. That is, the UniProt code for the protein is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: Q8WSF8 ()  -  Soluble acetylcholine receptor OS=Aplysia californica PE=1 SV=1
UniProt id: Q8WSF8    235 a.a.  
3peo A,B,C,D,...   203 a.a. 203   X-ray 2.10 Å
The PDB contains 1 entry of metocurine bound to this protein

Key:    PfamA 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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