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DB01196 : estramustine

Approved drug estramustine ... 4 targets DB01196

Generic name: estramustine
 
Brand name(s): emcyt, estracyt.
Formula: C23H31Cl2No3
IUPAC Formula: (1s,10r,11s,14s,15s)-14-Hydroxy-15-Methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-
Trien-5-Yl n,N-Bis(2-Chloroethyl)carbamate

4
There are 4 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
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Target proteins

DrugBank drug Target 1:   UniProt id: P11137 (MTAP2_HUMAN)  -  Microtubule-associated protein 2
  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 2:   UniProt id: P78559 (MAP1A_HUMAN)  -  Microtubule-associated protein 1A
UniProt id: P78559    2803 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 3:   UniProt id: P03372 (ESR1_HUMAN)  -  Estrogen receptor
UniProt id: P03372    594 a.a.  
1. 1qku A,B,C     250 a.a. 250   X-ray 3.20 Å
  2. 3ert A     247 a.a. 247   X-ray 1.90 Å
  3. 1g50 A,B,C     247 a.a. 247   X-ray 2.90 Å
  4. 2ouz A     246 a.a. 246   X-ray 2.00 Å
  5. 3erd A,B     246 a.a. 246   X-ray 2.03 Å
   more ...
There are no PDB entries containing estramustine bound to this target protein, although there are 100 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: Q92731 (ESR2_HUMAN)  -  Estrogen receptor beta
UniProt id: Q92731    529 a.a.  
1. 3oll A,B     234 a.a. 233   X-ray 1.50 Å
  2. 1l2j A,B     232 a.a. 232   X-ray 2.95 Å
  3. 1u3r A,B     231 a.a. 231   X-ray 2.21 Å
  4. 1nde A     231 a.a. 231   X-ray 3.00 Å
  5. 1qkm A     230 a.a. 230   X-ray 1.80 Å
   more ...
There are no PDB entries containing estramustine bound to this target protein, although there are 29 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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