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DB00373 : timolol

Approved drug timolol ... 3 targets DB00373

Generic name: timolol PDB Het Group: TIM
 
1 structure in PDB
Brand name(s): apo-timol, apo-timop, aquanil, betim, betimol, blocadren, istalol, novo-timol, nu-timolol, phoxal-timolol, proflax, temserin, tenopt, tim-ak, timacar, timacor, timopic, timoptic, timoptic ocudose, timoptic in ocudose, timoptic-xe, timoptol.
Formula: C13H24N4O3S
IUPAC Formula: Tert-Butyl(2-Hydroxy-3-{[4-(Morpholin-4-Yl)-1,2,5-Thiadiazol-3-Yl]oxy}propyl)amine
PDB name: (2s)-1-(Tert-Butylamino)-3-[(4-Morpholin-4-Yl-1,2,5-Thiadiazol-3-Yl)oxy]propan-2-Ol

3
There are 3 target proteins defined in DrugBank for this drug.
 3 
3 of these target proteins have one or more structures in the PDB.
 1 
There is 1 PDB structure of the drug molecule bound to its target protein.
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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 timolol 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 timolol bound to this target protein, although there are 16 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P00720 (ENLYS_BPT4)  -  Lysozyme
UniProt id: P00720    163 a.a.  
3d4s A   439 a.a. 157   X-ray 2.80 Å
The PDB contains 1 entry of timolol bound to this target protein and 605 entries of this target protein in all (click on orange, plus icon for 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.

 

 

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