KEGG   DRUG: D00681Help
Entry
D00681                      Drug                                   

Name
Methysergide maleate (USP);
Sansert (TN)
Formula
C21H27N3O2. C4H4O4
Exact mass
469.2213
Mol weight
469.5301
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasoconstrictor [specific in migraine]
Remark
ATC code: 
Drug group: 
Target
5-HT1A-receptor agonist [HSA:3350] [KO:K04153];
5-HT1B-receptor agonist [HSA:3351] [KO:K04153];
5-HT1D-receptor agonist [HSA:3352] [KO:K04153];
5-HT2A-receptor antagonist [HSA:3356] [KO:K04157];
5-HT2C-receptor antagonist [HSA:3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
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
      D00681  Methysergide maleate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1A-receptor
     Methysergide
      D00681  Methysergide maleate (USP)
    5-HT1B-receptor
     Methysergide
      D00681  Methysergide maleate (USP)
    5-HT1D-receptor
     Methysergide
      D00681  Methysergide maleate (USP)
    5-HT2A-receptor
     Methysergide
      D00681  Methysergide maleate (USP)
    5-HT2C-receptor
     Methysergide
      D00681  Methysergide maleate (USP)
BRITE hierarchy
Other DBs
CAS: 
129-49-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C8y C    17.0483  -18.4347
            2   C8y C    17.0657  -17.0805
            3   C8y C    18.2332  -19.1234
            4   C8y C    15.8574  -19.1234
            5   C2y C    18.2564  -16.4034
            6   C8x C    15.8808  -16.3974
            7   C1x C    19.4298  -18.4580
            8   C8x C    18.2332  -20.4951
            9   N4y N    15.8574  -20.4951
            10  C8x C    14.6959  -18.4463
            11  C1y C    19.4298  -17.0921
            12  C2x C    18.2682  -15.0375
            13  C8x C    14.6959  -17.0805
            14  C1a C    14.8711  -21.4816
            15  N1y N    20.6205  -16.4208
            16  C1y C    19.4472  -14.3661
            17  C1x C    20.6322  -15.0549
            18  C1a C    21.7937  -17.1038
            19  C5a C    19.4413  -12.9886
            20  N1b N    20.6264  -12.3057
            21  O5a O    18.2564  -12.3057
            22  C1c C    21.8054  -12.9828
            23  C1b C    22.9903  -12.3000
            24  C1b C    21.7997  -14.3487
            25  C1a C    24.1753  -12.9771
            26  O1a O    22.9846  -15.0375
            27  C2b C    29.1076  -15.5279
            28  C2b C    27.4733  -15.5336
            29  C6a C    29.7905  -16.7011
            30  C6a C    26.8019  -16.7128
            31  O6a O    29.1134  -17.8744
            32  O6a O    31.1507  -16.7594
            33  O6a O    25.4360  -16.7128
            34  O6a O    27.4849  -17.8860
BOND        36
            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
            30   27  28 2
            31   27  29 1
            32   28  30 1
            33   29  31 1
            34   29  32 2
            35   30  33 1
            36   30  34 2

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