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DB01049 : ergoloid mesylate

Approved drug ergoloid mesylate ... 4 targets DB01049

Generic name: ergoloid mesylate
 
Brand name(s): alkergot, circanol, co-dergocrine mesylate, deapril-st, dihydroergotoxin mesilat, dihydroergotoxin mesylate, dihydroergotoxin methanesulfonate, dihydroergotoxine mesilate, dihydroergotoxine mesylate, dihydroergotoxine methanesulfonate, dihydroergotoxine methanesulphonate, ergoloid mesylates [usan], gerimal, hydergin, hydergine, hydergine lc, hydrogenated ergot alkaloids, ischelium, redergin, trigot.
Formula: C30H41N5O8S
IUPAC Formula: (2r,4r,7r)-N-[(1s,2s,4r,7s)-2-Hydroxy-7-Methyl-5,8-Dioxo-4-(Propan-2-Yl)-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; methanesulfonic acid

4
There are 4 target proteins defined in DrugBank for this drug.
 1 
1 of these target proteins has one or more structures in the PDB.
Links  
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ChEBI
KEGG drug
PubChem
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Target proteins

DrugBank drug Target 1:   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 ergoloid mesylate 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 2:   UniProt id: P35348 (ADA1A_HUMAN)  -  Alpha-1A adrenergic receptor
  No Pfam domain assignments available for this protein.
 
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: O94956 (SO2B1_HUMAN)  -  Solute carrier organic anion transporter family member 2B1
  No Pfam domain assignments available for this protein.
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 4:   UniProt id: P08908 (5HT1A_HUMAN)  -  5-hydroxytryptamine 1A receptor
  No Pfam domain assignments available for this protein.
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

 

Structure selection

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