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DB01167 : itraconazole

Approved drug itraconazole ... 2 targets DB01167

Generic name: itraconazole PDB Het Group: 1YN
 
Brand name(s): hyphanox, itrizole, oriconazole, sporal, sporanos, sporanox, sporonox, triasporn.
Formula: C35H38Cl2N8O4
IUPAC Formula: 1-(Butan-2-Yl)-4-{4-[4-(4-{[(2r,4s)-2-(2,4-Dichlorophenyl)-2-(1h-1,2,4-Triazol-1-Ylmethyl)-1,3-
Dioxolan-4-Yl]methoxy}phenyl)piperazin-1-Yl]phenyl}-4,5-Dihydro-1h-1,2,4-Triazol-5-One
PDB name: 2-[(2r)-Butan-2-Yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-Dichlorophenyl)-2-(1h-1,2,4-Triazol-1-Ylmethyl)-1,3-
Dioxolan-4-Yl]methoxy}phenyl)piperazin-1-Yl]phenyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One

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.
Links  
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Target proteins

DrugBank drug Target 1:   UniProt id: Q16850 (CP51A_HUMAN)  -  Cytochrome P450 51A1
UniProt id: Q16850    502 a.a.  
1. 3juv A     448 a.a. 448   X-ray 3.12 Å
  2. 3i3k A,B     445 a.a. 445   X-ray 2.80 Å
  3. 3ld6 A,B     445 a.a. 445   X-ray 2.80 Å
  4. 3jus A,B     445 a.a. 445   X-ray 2.90 Å
There are no PDB entries containing itraconazole bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P50859 (CP51_CANGA)  -  Cytochrome P450 51
UniProt id: P50859    533 a.a.  
 
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

 

 

Structure selection

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