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DB00877 : sirolimus

Approved drug sirolimus ... 3 targets DB00877

Generic name: sirolimus
 
Brand name(s): rapamune.
Formula: C51H79No13
IUPAC Formula: (1r,9s,12s,15r,18r,19r,21r,23s,30s,32s,35r)-1,18-Dihydroxy-12-[(2s)-1-[(1s,3r,4r)-4-Hydroxy-3-
Methoxycyclohexyl]propan-2-Yl]-19,30-Dimethoxy-15,17,21,23,29,35-Hexamethyl-11,36-Dioxa-4-
Azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-Tetraene-2,3,10,14,20-Pentone

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.
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Target proteins

DrugBank drug Target 1:   UniProt id: P42345 (MTOR_HUMAN)  -  Serine/threonine-protein kinase mTOR
UniProt id: P42345    2548 a.a.  
1. 4jsn B,A     1058 a.a. 1058   X-ray 3.20 Å
  2. 4jsp B,A     1058 a.a. 1058   X-ray 3.30 Å
  3. 4jt5 B,A     1058 a.a. 1058   X-ray 3.45 Å
  4. 4jsv B,A     1058 a.a. 1058   X-ray 3.50 Å
  5. 4jsx B,A     1058 a.a. 1058   X-ray 3.50 Å
   more ...
There are no PDB entries containing sirolimus bound to this target protein, although there are 18 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P62942 (FKB1A_HUMAN)  -  FK506-binding protein 1A
UniProt id: P62942    107 a.a.  
1. 2ppn A     107 a.a. 107   X-ray
  2. 1fkb A     107 a.a. 107   X-ray 1.70 Å
  3. 1fkf A     107 a.a. 107   X-ray 1.70 Å
  4. 1fkj A     107 a.a. 107   X-ray 1.70 Å
  5. 2dg3 A     107 a.a. 107   X-ray 1.70 Å
   more ...
There are no PDB entries containing sirolimus bound to this target protein, although there are 43 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P09038 (FGF2_HUMAN)  -  Heparin-binding growth factor 2
UniProt id: P09038    287 a.a.  
1. 1bla A     155 a.a. 151   NMR  
  2. 1bld A     155 a.a. 151   NMR  
  3. 1iil A,B,C,D     134 a.a. 132   X-ray 2.30 Å
  4. 1ii4 A,B,C,D     134 a.a. 132   X-ray 2.70 Å
  5. 4oee A     132 a.a. 130   X-ray 1.50 Å
   more ...
There are no PDB entries containing sirolimus bound to this target protein, although there are 19 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.

 

 

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