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DB00762 : irinotecan

Approved drug irinotecan ... 2 targets DB00762

Generic name: irinotecan PDB Het Group: CP0
 
1 structure in PDB
Brand name(s): camptosar.
Formula: C33H38N4O6
IUPAC Formula: (19s)-10,19-Diethyl-19-Hydroxy-14,18-Dioxo-17-Oxa-3,13-
Diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-Heptaen-7-
Yl 4-(Piperidin-1-Yl)piperidine-1-Carboxylate
PDB name: (4s)-4,11-Diethyl-4-Hydroxy-3,14-Dioxo-3,4,12,14-Tetrahydro-1h-Pyrano[3',4':6,7]indolizino[1,2-
B]quinolin-9-Yl 1,4'-Bipiperidine-1'-Carboxylate

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

DrugBank drug Target 1:   UniProt id: P11387 (TOP1_HUMAN)  -  DNA topoisomerase 1
UniProt id: P11387    764 a.a.  
1. 1sc7 A     566 a.a. 565   X-ray 3.00 Å
  2. 1k4t A     564 a.a. 563   X-ray 2.10 Å
  3. 1t8i A     564 a.a. 563   X-ray 3.00 Å
  4. 1tl8 A     564 a.a. 563   X-ray 3.10 Å
  5. 1rrj A     564 a.a. 562   X-ray 2.30 Å
   more ...
There are no PDB entries containing irinotecan bound to this target protein, although there are 15 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: Q969P6 (TOP1M_HUMAN)  -  DNA topoisomerase I, mitochondrial
  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)

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with irinotecan bound in the PDB

There is 1 "non-target" protein in the PDB containing the irinotecan molecule bound. That is, the UniProt code for the protein is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P04058 ()  -  Acetylcholinesterase OS=Torpedo californica GN=ache PE=1 SV=2
UniProt id: P04058    585 a.a.  
1u65 A   533 a.a. 533   X-ray 2.61 Å
The PDB contains 1 entry of irinotecan 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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