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DB00841 : dobutamine

Approved drug dobutamine ... 2 targets DB00841

Generic name: dobutamine PDB Het Group: Y00
 
2 structures in PDB
Brand name(s): dobutamina [inn-spanish], dobutamine hcl, dobutamine hcl in dextrose 5%, dobutamine hydrochloride, dobutamine [usan:ban:inn], dobutamine [usan], dobutaminum [inn-latin], dobutrex, inotrex, racemic-dobutamine.
Formula: C18H23No3
IUPAC Formula: 4-(2-{[4-(4-Hydroxyphenyl)butan-2-Yl]amino}ethyl)benzene-1,2-Diol
PDB name: Dobutamine

2
There are 2 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
 2 
There are 2 PDB structures 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: P08588 (ADRB1_HUMAN)  -  Beta-1 adrenergic receptor
UniProt id: P08588    476 a.a.  
2lsq A     25 a.a. 19   NMR  
There are no PDB entries containing dobutamine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 2:   UniProt id: P07550 (ADRB2_HUMAN)  -  Beta-2 adrenergic receptor
UniProt id: P07550    412 a.a.  
1. 3pds A     442 a.a. 292   X-ray 3.50 Å
  2. 4gbr A     286 a.a. 283   X-ray 3.99 Å
  3. 3kj6 A     222 a.a. 222   X-ray 3.40 Å
  4. 2r4r A     216 a.a. 216   X-ray 3.40 Å
  5. 2r4s A     216 a.a. 216   X-ray 3.40 Å
   more ...
There are no PDB entries containing dobutamine bound to this target protein, although there are 16 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.

 

Other proteins with dobutamine bound in the PDB

There is 1 "non-target" protein in the PDB containing the dobutamine 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: P07700 ()  -  Beta-1 adrenergic receptor OS=Meleagris gallopavo GN=ADRB1 PE=1 SV=1
UniProt id: P07700    482 a.a.  
1. 2y00 A,B   286 a.a. 278   X-ray 2.50 Å
  2. 2y01 A,B   286 a.a. 278   X-ray 2.60 Å
The PDB contains 2 entries of dobutamine bound to this protein

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.

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

Structure selection

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