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DB01254 : dasatinib

Approved drug dasatinib ... 10 targets DB01254

Generic name: dasatinib PDB Het Group: 1N1
 
10 structures in PDB
Brand name(s): sprycel.
Formula: C22H26Cln7O2S
IUPAC Formula: N-(2-Chloro-6-Methylphenyl)-2-({6-[4-(2-Hydroxyethyl)piperazin-1-Yl]-2-Methylpyrimidin-4-Yl}amino)-
1,3-Thiazole-5-Carboxamide
PDB name: N-(2-Chloro-6-Methylphenyl)-2-({6-[4-(2-Hydroxyethyl)piperazin-1-Yl]-2-Methylpyrimidin-4-Yl}amino)-
1,3-Thiazole-5-Carboxamide

10
There are 10 target proteins defined in DrugBank for this drug.
 9 
9 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.
 9 
There are 9 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank drug Target 1:   UniProt id: P06241 (FYN_HUMAN)  -  Proto-oncogene tyrosine-protein kinase Fyn
UniProt id: P06241    536 a.a.  
1. 2dq7 X     262 a.a. 261   X-ray 2.80 Å
  2. 1g83 A,B     161 a.a. 159   X-ray 2.60 Å
  3. 1aot F     106 a.a. 103   NMR  
  4. 1aou F     106 a.a. 103   NMR  
  5. 3ua7 A,B     63 a.a. 63   X-ray 1.50 Å
   more ...
There are no PDB entries containing dasatinib bound to this target protein, although there are 20 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P00519 (ABL1_HUMAN)  -  Proto-oncogene tyrosine-protein kinase ABL1
UniProt id: P00519    1129 a.a.  
2gqg A,B   277 a.a. 270   X-ray 2.40 Å
The PDB contains 1 entry of dasatinib bound to this target protein and 47 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 3:   UniProt id: P12931 (SRC_HUMAN)  -  Proto-oncogene tyrosine-protein kinase Src
UniProt id: P12931    535 a.a.  
1. 1y57 A     452 a.a. 451   X-ray 1.91 Å
  2. 2src A     449 a.a. 448   X-ray 1.50 Å
  3. 1ksw A     449 a.a. 447   X-ray 2.80 Å
  4. 4k11 A     447 a.a. 445   X-ray 2.30 Å
  5. 2h8h A     444 a.a. 443   X-ray 2.20 Å
   more ...
There are no PDB entries containing dasatinib bound to this target protein, although there are 57 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: P29317 (EPHA2_HUMAN)  -  Ephrin type-A receptor 2
UniProt id: P29317    975 a.a.  
1. 2x11 A     488 a.a. 488   X-ray 4.83 Å
  2. 2x10 A     485 a.a. 484   X-ray 3.00 Å
  3. 3fl7 A     482 a.a. 482   X-ray 2.50 Å
  4. 3mx0 A,C     406 a.a. 406   X-ray 3.51 Å
  5. 3mbw A     286 a.a. 286   X-ray 2.81 Å
   more ...
There are no PDB entries containing dasatinib bound to this target protein, although there are 19 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 5:   UniProt id: P06239 (LCK_HUMAN)  -  Proto-oncogene tyrosine-protein kinase LCK
UniProt id: P06239    508 a.a.  
1. 2of2 A     271 a.a. 271   X-ray 2.00 Å
  2. 2ofu A     272 a.a. 271   X-ray 2.00 Å
  3. 3ad5 A     272 a.a. 271   X-ray 2.00 Å
  4. 3ad6 A     272 a.a. 271   X-ray 2.15 Å
  5. 2of4 A     271 a.a. 271   X-ray 2.70 Å
   more ...
There are no PDB entries containing dasatinib bound to this target protein, although there are 51 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 6:   UniProt id: P07947 (YES_HUMAN)  -  Proto-oncogene tyrosine-protein kinase Yes
UniProt id: P07947    542 a.a.  
2hda A     59 a.a. 59   X-ray 1.90 Å
There are no PDB entries containing dasatinib bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 7:   UniProt id: P10721 (KIT_HUMAN)  -  Mast/stem cell growth factor receptor
UniProt id: P10721    975 a.a.  
1. 2e9w A,B     468 a.a. 466   X-ray 3.50 Å
  2. 2ec8 A     464 a.a. 464   X-ray 3.00 Å
  3. 1qzj A     357 a.a. 357   Theor. model
  4. 1qzk A     357 a.a. 356   Theor. model
  5. 1r01 A     356 a.a. 355   Theor. model
   more ...
There are no PDB entries containing dasatinib bound to this target protein, although there are 13 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 8:   UniProt id: P09619 (PGFRB_HUMAN)  -  Beta platelet-derived growth factor receptor
UniProt id: P09619    1105 a.a.  
1. 1lwp A     363 a.a. 363   Theor. model
  2. 3mjg X,Y     274 a.a. 274   X-ray 2.30 Å
  3. 2l6w A,B     39 a.a. 38   NMR  
  4. 1gq5 A     91 a.a. 16   X-ray 2.20 Å
  5. 2pld B     11 a.a. 10   NMR  
There are no PDB entries containing dasatinib bound to this target protein, although there are 6 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 9:   UniProt id: P51692 (STA5B_HUMAN)  -  Signal transducer and activator of transcription 5B
UniProt id: P51692    787 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 10:   UniProt id: P42684 (ABL2_HUMAN)  -  Tyrosine-protein kinase ABL2
UniProt id: P42684    1181 a.a.  
1. 3hmi A     268 a.a. 268   X-ray 1.65 Å
  2. 2xyn A,B,C     264 a.a. 264   X-ray 2.81 Å
  3. 3nsv A,B,C     264 a.a. 264   X-ray 2.81 Å
  4. 3gvu A     271 a.a. 262   X-ray 2.05 Å
  5. 2kk1 A     135 a.a. 124   NMR  
   more ...
There are no PDB entries containing dasatinib bound to this target protein, although there are 8 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.

 

Other proteins with dasatinib bound in the PDB

There are 7 "non-target" proteins in the PDB containing the dasatinib molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: A9UJZ9 ()  -  p38a OS=Salmo salar GN=p38a PE=1 SV=1
UniProt id: A9UJZ9    360 a.a.  
3oht A,B   331 a.a. 331   X-ray 2.70 Å
The PDB contains 1 entry of dasatinib bound to this protein
Protein 2:   UniProt id: P00523 ()  -  Proto-oncogene tyrosine-protein kinase Src OS=Gallus gallus GN=SRC PE=1 SV=4
UniProt id: P00523    532 a.a.  
1. 3qlg A,B   259 a.a. 258   X-ray 2.75 Å
  2. 3g5d A,B   256 a.a. 255   X-ray 2.20 Å
The PDB contains 2 entries of dasatinib bound to this protein
Protein 3:   UniProt id: P25911 ()  -  Tyrosine-protein kinase Lyn OS=Mus musculus GN=Lyn PE=1 SV=4
UniProt id: P25911    511 a.a.  
2zva A   261 a.a. 259   X-ray 2.60 Å
The PDB contains 1 entry of dasatinib bound to this protein
Protein 4:   UniProt id: P51813 ()  -  Cytoplasmic tyrosine-protein kinase BMX OS=Homo sapiens GN=BMX PE=1 SV=1
UniProt id: P51813    674 a.a.  
3sxr A,B   260 a.a. 254   X-ray 2.40 Å
The PDB contains 1 entry of dasatinib bound to this protein
Protein 5:   UniProt id: Q03137 ()  -  Ephrin type-A receptor 4 OS=Mus musculus GN=Epha4 PE=1 SV=2
UniProt id: Q03137    985 a.a.  
2y6o A   263 a.a. 263   X-ray 1.54 Å
The PDB contains 1 entry of dasatinib bound to this protein
Protein 6:   UniProt id: Q06187 ()  -  Tyrosine-protein kinase BTK OS=Homo sapiens GN=BTK PE=1 SV=3
UniProt id: Q06187    658 a.a.  
1. 3oct A   244 a.a. 244   X-ray 1.95 Å
  2. 3k54 A   243 a.a. 243   X-ray 1.94 Å
The PDB contains 2 entries of dasatinib bound to this protein
Protein 7:   UniProt id: Q16539 ()  -  Mitogen-activated protein kinase 14 OS=Homo sapiens GN=MAPK14 PE=1 SV=3
UniProt id: Q16539    359 a.a.  
3lfa A   333 a.a. 333   X-ray 2.10 Å
The PDB contains 1 entry of dasatinib bound to this protein

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.

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

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