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DB00321 : amitriptyline

Approved drug amitriptyline ... 21 targets DB00321

Generic name: amitriptyline PDB Het Group: TP0
 
1 structure in PDB
Brand name(s): adepress, adepril, amitid, amitril, damilan, damilen, elanil, elavil, endep, flavyl, horizon, lantron, laroxil, laroxyl, lentizol, proheptadiene, redomex, saroten, sarotex, seroten, sylvemid, triptanol, triptilin, triptisol, tryptanol, tryptizol.
Formula: C20H23N
IUPAC Formula: Dimethyl({3-[(2z)-Tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-Hexaen-2-
Ylidene]propyl})amine
PDB name: Amitriptyline

21
There are 21 target proteins defined in DrugBank for this drug.
 10 
10 of these target proteins have 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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Target proteins

DrugBank drug Target 1:   UniProt id: P25100 (ADA1D_HUMAN)  -  Alpha-1D adrenergic receptor
UniProt id: P25100    572 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 2:   UniProt id: P08913 (ADA2A_HUMAN)  -  Alpha-2A adrenergic receptor
UniProt id: P08913    449 a.a.  
1. 1hll A     32 a.a. 32   NMR  
  2. 1hof A     32 a.a. 32   NMR  
  3. 1ho9 A     32 a.a. 31   NMR  
  4. 1hod A     32 a.a. 31   NMR  
There are no PDB entries containing amitriptyline 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 3:   UniProt id: P35367 (HRH1_HUMAN)  -  Histamine H1 receptor
UniProt id: P35367    487 a.a.  
   more ...
There are no PDB entries containing amitriptyline bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 4:   UniProt id: P11229 (ACM1_HUMAN)  -  Muscarinic acetylcholine receptor M1
UniProt id: P11229    460 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 5:   UniProt id: P08172 (ACM2_HUMAN)  -  Muscarinic acetylcholine receptor M2
UniProt id: P08172    465 a.a.  
1. 4mqs A     277 a.a. 277   X-ray 3.50 Å
  2. 4mqt A     275 a.a. 275   X-ray 3.70 Å
  3. 1lub A     50 a.a. 49   Theor. model
There are no PDB entries containing amitriptyline 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 6:   UniProt id: P20309 (ACM3_HUMAN)  -  Muscarinic acetylcholine receptor M3
UniProt id: P20309    589 a.a.  
2csa A     19 a.a. 19   NMR  
There are no PDB entries containing amitriptyline 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: P08173 (ACM4_HUMAN)  -  Muscarinic acetylcholine receptor M4
UniProt id: P08173    479 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 8:   UniProt id: P08912 (ACM5_HUMAN)  -  Muscarinic acetylcholine receptor M5
UniProt id: P08912    532 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 9:   UniProt id: O43526 (KCNQ2_HUMAN)  -  Potassium voltage-gated channel subfamily KQT member 2
UniProt id: O43526    872 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: Q09470 (KCNA1_HUMAN)  -  Potassium voltage-gated channel subfamily A member 1
UniProt id: Q09470    494 a.a.  
2afl A,B,C,D     82 a.a. 82   Theor. model
There are no PDB entries containing amitriptyline bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 11:   UniProt id: P23975 (SC6A2_HUMAN)  -  Sodium-dependent noradrenaline transporter
UniProt id: P23975    617 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 12:   UniProt id: Q9NZV8 (KCND2_HUMAN)  -  Potassium voltage-gated channel subfamily D member 2
UniProt id: Q9NZV8    630 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 13:   UniProt id: Q9UK17 (KCND3_HUMAN)  -  Potassium voltage-gated channel subfamily D member 3
UniProt id: Q9UK17    654 a.a.  
1. 2nz0 B,D     136 a.a. 136   X-ray 3.20 Å
  2. 1s1g A,B     107 a.a. 106   X-ray 2.60 Å
There are no PDB entries containing amitriptyline bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 14:   UniProt id: P31645 (SC6A4_HUMAN)  -  Sodium-dependent serotonin transporter
UniProt id: P31645    630 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 15:   UniProt id: P28223 (5HT2A_HUMAN)  -  5-hydroxytryptamine 2A receptor
UniProt id: P28223    471 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 16:   UniProt id: P08908 (5HT1A_HUMAN)  -  5-hydroxytryptamine 1A receptor
UniProt id: P08908    422 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 17:   UniProt id: P41143 (OPRD_HUMAN)  -  Delta-type opioid receptor
UniProt id: P41143    371 a.a.  
1ozc A     268 a.a. 268   Theor. model
There are no PDB entries containing amitriptyline bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 18:   UniProt id: P41145 (OPRK_HUMAN)  -  Kappa-type opioid receptor
UniProt id: P41145    379 a.a.  
2a0d A     380 a.a. 378   Theor. model
There are no PDB entries containing amitriptyline bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 19:   UniProt id: P04629 (NTRK1_HUMAN)  -  High affinity nerve growth factor receptor
UniProt id: P04629    795 a.a.  
1. 2ifg A,B     347 a.a. 347   X-ray 3.40 Å
  2. 4gt5 A     290 a.a. 290   X-ray 2.40 Å
  3. 4f0i A,B     284 a.a. 284   X-ray 2.30 Å
  4. 4pmm A     285 a.a. 281   X-ray 2.00 Å
  5. 4pms A     283 a.a. 279   X-ray 2.80 Å
   more ...
There are no PDB entries containing amitriptyline bound to this target protein, although there are 12 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 20:   UniProt id: Q16620 (NTRK2_HUMAN)  -  BDNF/NT-3 growth factors receptor
UniProt id: Q16620    821 a.a.  
1. 4at5 A     294 a.a. 291   X-ray 1.71 Å
  2. 4at4 A     292 a.a. 289   X-ray 2.36 Å
  3. 4asz A     289 a.a. 286   X-ray 1.70 Å
  4. 4at3 A     289 a.a. 286   X-ray 1.77 Å
  5. 1wwb X     103 a.a. 103   X-ray 2.10 Å
   more ...
There are no PDB entries containing amitriptyline bound to this target protein, although there are 7 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 21:   UniProt id: P35348 (ADA1A_HUMAN)  -  Alpha-1A adrenergic receptor
UniProt id: P35348    466 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  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with amitriptyline bound in the PDB

There is 1 "non-target" protein in the PDB containing the amitriptyline 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: P19652 ()  -  Alpha-1-acid glycoprotein 2 OS=Homo sapiens GN=ORM2 PE=1 SV=2
UniProt id: P19652    200 a.a.  
3apv A,B   170 a.a. 169   X-ray 2.15 Å
The PDB contains 1 entry of amitriptyline 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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