KEGG   DRUG: Ketanserin
Entry
D02363                      Drug                                   
Name
Ketanserin (USAN/INN)
Formula
C22H22FN3O3
Exact mass
395.1645
Mol weight
395.4268
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C07464
ATC code: C02KD01
Chemical structure group: DG00265
Efficacy
Antihypertensive, Serotonin receptor antagonist
Target
HTR2A [HSA:3356] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Structure map
map07211  Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KD Serotonin antagonists
     C02KD01 Ketanserin
      D02363  Ketanserin (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01457  alpha1-Adrenergic receptor antagonist
     DG00265  Ketanserin
      D02363  Ketanserin
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00265  Ketanserin
     D02363  Ketanserin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D02363  Ketanserin (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01457  alpha1-Adrenergic receptor antagonist
     DG00265  Ketanserin
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00265  Ketanserin
Other DBs
CAS: 74050-98-9
PubChem: 7849422
ChEBI: 6123
PDB-CCD: UYX[PDBj]
LigandBox: D02363
NIKKAJI: J12.099E
KCF data

ATOM        29
            1   C8y C    36.3464  -12.6205
            2   C8y C    36.3464  -14.0201
            3   N4x N    35.1335  -11.9208
            4   C8x C    37.5594  -11.9208
            5   C8y C    35.1335  -14.7198
            6   C8x C    37.5594  -14.7198
            7   C8y C    33.9206  -12.6205
            8   C8x C    38.7723  -12.6205
            9   N4y N    33.9206  -14.0201
            10  O5x O    35.1335  -16.1194
            11  C8x C    38.7723  -14.0201
            12  O5x O    32.7076  -11.9208
            13  C1b C    32.7076  -14.7198
            14  C1b C    31.4947  -14.0201
            15  N1y N    30.2818  -14.7198
            16  C1x C    29.0688  -14.0201
            17  C1x C    30.2818  -16.1194
            18  C1x C    27.8559  -14.7198
            19  C1x C    29.0688  -16.8191
            20  C1y C    27.8559  -16.1194
            21  C5a C    26.6440  -16.8193
            22  O5a O    26.6442  -18.2187
            23  C8y C    25.4430  -16.1258
            24  C8x C    25.4437  -14.7004
            25  C8x C    24.2316  -13.9998
            26  C8y C    23.0189  -14.6992
            27  C8x C    23.0181  -16.1246
            28  C8x C    24.2302  -16.8252
            29  X   F    21.8155  -14.0036
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7   9 1
            21    8  11 2
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1

» Japanese version   » Back

  All links  
Ontology (3)   
   KEGG BRITE (3)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (13)   

Download RDF
DBGET integrated database retrieval system