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DB00696 : ergotamine

Approved drug ergotamine ... 10 targets DB00696

Generic name: ergotamine PDB Het Group: ERM
 
3 structures in PDB
Brand name(s): ergomar, ergostat, ergotamin, ergoton-a, medihaler ergotamine, wigrettes.
Formula: C33H35N5O5
IUPAC Formula: (4r,7r)-N-[(1s,2s,4r,7s)-7-Benzyl-2-Hydroxy-4-Methyl-5,8-Dioxo-3-Oxa-6,9-
Diazatricyclo[7.3.0.0^{2,6}]dodecan-4-Yl]-6-Methyl-6,11-
Diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-Pentaene-4-Carboxamide
PDB name: Ergotamine

10
There are 10 target proteins defined in DrugBank for this drug.
 4 
4 of these target proteins have one or more structures in the PDB.
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Target proteins

DrugBank drug Target 1:   UniProt id: P23975 (SC6A2_HUMAN)  -  Sodium-dependent noradrenaline transporter
UniProt id: P23975    617 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: P28221 (5HT1D_HUMAN)  -  5-hydroxytryptamine 1D receptor
UniProt id: P28221    377 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 3:   UniProt id: P28222 (5HT1B_HUMAN)  -  5-hydroxytryptamine 1B receptor
UniProt id: P28222    389 a.a.  
2g1x A     390 a.a. 389   Theor. model
There are no PDB entries containing ergotamine bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: P28223 (5HT2A_HUMAN)  -  5-hydroxytryptamine 2A receptor
UniProt id: P28223    471 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 5:   UniProt id: P14416 (DRD2_HUMAN)  -  D(2) dopamine receptor
UniProt id: P14416    442 a.a.  
1. 1i15 A     25 a.a. 25   Theor. model
  2. 2you B,C     14 a.a. 13   X-ray 2.19 Å
There are no PDB entries containing ergotamine bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 6:   UniProt id: P35348 (ADA1A_HUMAN)  -  Alpha-1A adrenergic receptor
UniProt id: P35348    466 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 7:   UniProt id: P35368 (ADA1B_HUMAN)  -  Alpha-1B adrenergic receptor
UniProt id: P35368    520 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 8:   UniProt id: P25100 (ADA1D_HUMAN)  -  Alpha-1D adrenergic receptor
UniProt id: P25100    572 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 9:   UniProt id: P08913 (ADA2A_HUMAN)  -  Alpha-2A adrenergic receptor
UniProt id: P08913    449 a.a.  
1. 1hll A     32 a.a. 32   NMR  
  2. 1hof A     32 a.a. 32   NMR  
  3. 1ho9 A     32 a.a. 31   NMR  
  4. 1hod A     32 a.a. 31   NMR  
There are no PDB entries containing ergotamine 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 10:   UniProt id: P18089 (ADA2B_HUMAN)  -  Alpha-2B adrenergic receptor
UniProt id: P18089    449 a.a.  
2cva A     32 a.a. 32   Theor. model
There are no PDB entries containing ergotamine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

 

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