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DB01128 : bicalutamide

Approved drug bicalutamide ... 1 target DB01128

Generic name: bicalutamide PDB Het Group: 198
 
20 structures in PDB
Brand name(s): casodex.
Formula: C18H14F4N2O4S
IUPAC Formula: N-[4-Cyano-3-(Trifluoromethyl)phenyl]-3-[(4-Fluorobenzene)sulfonyl]-2-Hydroxy-2-Methylpropanamide
PDB name: R-Bicalutamide

1
There is 1 target protein defined in DrugBank for this drug.
 1 
The target protein has one or more structures in the PDB.
 8 
There are 8 PDB structures of the drug molecule bound to its target protein.
 2 
There are 2 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
Links  
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Target proteins

DrugBank drug Target 1:   UniProt id: P10275 (ANDR_HUMAN)  -  Androgen receptor
UniProt id: P10275    918 a.a.  
1. 4ok1 A   249 a.a. 247   X-ray 2.09 Å
  2. 4okt A   248 a.a. 246   X-ray 2.50 Å
  3. 4ojb A   240 a.a. 238   X-ray 2.00 Å
  4. 4okx A   240 a.a. 238   X-ray 2.10 Å
  5. 4olm A   240 a.a. 238   X-ray 2.80 Å
   more ...
The PDB contains 8 entries of bicalutamide bound to this target protein and 76 entries of this target protein in all (click on orange, plus icon for list).

Key:    PfamA 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 bicalutamide bound in the PDB

There are 2 "non-target" proteins in the PDB containing the bicalutamide molecule bound. That is, the UniProt code for the proteins is missing or does not match the drug target above.

Protein 1:   UniProt id: P02768 ()  -  Serum albumin OS=Homo sapiens GN=ALB PE=1 SV=2
UniProt id: P02768    608 a.a.  
4la0 A,B   581 a.a. 581   X-ray 2.40 Å
The PDB contains 1 entry of bicalutamide bound to this protein
Protein 2:   UniProt id: Q9Y6A2 ()  -  Cholesterol 24-hydroxylase OS=Homo sapiens GN=CYP46A1 PE=1 SV=1
UniProt id: Q9Y6A2    499 a.a.  
4fia A   426 a.a. 426   X-ray 2.10 Å
The PDB contains 1 entry of bicalutamide bound to this protein

Key:    PfamA domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

Structure selection

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