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DB00320 : dihydroergotamine

Approved drug dihydroergotamine ... 4 targets DB00320

Generic name: dihydroergotamine PDB Het Group: 2GM
 
1 structure in PDB
Brand name(s): agit, angionorm, d.h.e., d.h.e. 45, det ms, dhe-45, dergotamine, diergo, dihydergot, dirgotarl, endophleban, ergomimet, ergont, ergotonin, ikaran, migranal, morena, orstanorm, tonopres, verladyn.
Formula: C33H37N5O5
IUPAC Formula: (2r,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),9,12,14-Tetraene-4-Carboxamide
PDB name: Dihydroergotamine

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: 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 2:   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 dihydroergotamine 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 3:   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 dihydroergotamine 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 4:   UniProt id: P41595 (5HT2B_HUMAN)  -  5-hydroxytryptamine 2B receptor
UniProt id: P41595    481 a.a.  
   more ...
There are no PDB entries containing dihydroergotamine bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

 

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