KEGG   DRUG: D02357Help
Entry
D02357                      Drug                                   

Name
Methysergide (USAN/INN)
Formula
C21H27N3O2
Exact mass
353.2103
Mol weight
353.458
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasoconstrictor [specific in migraine]
Remark
Same as: 
ATC code: 
Target
5-HT1-receptor agonist [HSA:3350 3351 3352] [KO:K04153];
5-HT2-receptor antagonist [HSA:3356 3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Structure map
Antimigraines
Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CA Ergot alkaloids
     N02CA04 Methysergide
      D02357  Methysergide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1A-receptor [HSA:3350] [KO:K04153]
     Methysergide [ATC:N02CA04]
      D02357  Methysergide (USAN/INN)
    5-HT1B-receptor [HSA:3351] [KO:K04153]
     Methysergide [ATC:N02CA04]
      D02357  Methysergide (USAN/INN)
    5-HT1D-receptor [HSA:3352] [KO:K04153]
     Methysergide [ATC:N02CA04]
      D02357  Methysergide (USAN/INN)
    5-HT2A-receptor [HSA:3356] [KO:K04157]
     Methysergide [ATC:N02CA04]
      D02357  Methysergide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
361-37-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    20.5978  -18.4180
            2   C8y C    20.5686  -17.0663
            3   C8y C    21.7339  -19.1056
            4   C8y C    19.3624  -19.1056
            5   C2y C    21.6871  -16.3904
            6   C8x C    19.3857  -16.3845
            7   C1x C    22.9284  -18.4414
            8   C8x C    21.7339  -20.4747
            9   N4y N    19.3624  -20.4747
            10  C8x C    18.2030  -18.4297
            11  C1y C    22.9284  -17.0780
            12  C2x C    21.6990  -15.0269
            13  C8x C    18.2030  -17.0663
            14  C1a C    18.3779  -21.4595
            15  N1y N    24.1169  -16.4078
            16  C1y C    22.9457  -14.3568
            17  C1x C    24.1286  -15.0443
            18  C1a C    25.2880  -17.0896
            19  C5a C    22.9398  -12.9817
            20  N1b N    24.1228  -12.3001
            21  O5a O    21.7571  -12.3001
            22  C1c C    25.2997  -12.9760
            23  C1b C    26.4824  -12.2944
            24  C1b C    25.2940  -14.3393
            25  C1a C    27.6653  -12.9703
            26  O1a O    26.4767  -15.0269
BOND        29
            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     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 1 #Up
            19   19  20 1
            20   19  21 2
            21   20  22 1
            22   22  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   24  26 1
            26    7  11 1
            27    8   9 1
            28   10  13 2
            29   16  17 1

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