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DB00530 : erlotinib

Approved drug erlotinib ... 2 targets DB00530

Generic name: erlotinib PDB Het Group: AQ4
 
3 structures in PDB
Brand name(s): tarceva.
Formula: C22H23N3O4
IUPAC Formula: N-(3-Ethynylphenyl)-6,7-Bis(2-Methoxyethoxy)quinazolin-4-Amine
PDB name: [6,7-Bis(2-Methoxy-Ethoxy)quinazoline-4-Yl]-(3-Ethynylphenyl)amine

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 of the drug molecule bound to its target protein.
Links  
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Information  
Pharmacology
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Target proteins

DrugBank drug Target 1:   UniProt id: P00533 (EGFR_HUMAN)  -  Epidermal growth factor receptor
UniProt id: P00533    1209 a.a.  
1. 1m17 A   312 a.a. 312   X-ray 2.60 Å
  2. 4hjo A   278 a.a. 277   X-ray 2.75 Å
The PDB contains 2 entries of erlotinib bound to this target protein and 90 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   UniProt id: O75469 (NR1I2_HUMAN)  -  Nuclear receptor subfamily 1 group I member 2
UniProt id: O75469    433 a.a.  
1. 1nrl A,B     278 a.a. 278   X-ray 2.00 Å
  2. 2o9i A,B     279 a.a. 278   X-ray 2.80 Å
  3. 4j5w A,B     294 a.a. 276   X-ray 2.80 Å
  4. 1m13 A     273 a.a. 273   X-ray 2.15 Å
  5. 3ctc A,B     287 a.a. 272   X-ray 2.10 Å
   more ...
There are no PDB entries containing erlotinib bound to this target protein, although there are 11 entries of the target protein (click the orange, plus icon for a 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.

 

 

Structure selection

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