KEGG   DRUG: Spiradoline mesylateHelp
Entry
D05907                      Drug                                   

Name
Spiradoline mesylate (USAN)
Formula
C22H30Cl2N2O2. CH4SO3
Exact mass
520.1565
Mol weight
521.4975
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Efficacy
Analgesic
Target
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D05907  Spiradoline mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 87173-97-5
PubChem: 47207565
ChEMBL: CHEMBL1256692
LigandBox: D05907
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1y C    25.1379  -20.6264
            2   C1x C    25.1380  -22.0335
            3   C1x C    26.3493  -22.7327
            4   C1z C    27.5605  -22.0333
            5   C1x C    27.5603  -20.6261
            6   C1y C    26.3490  -19.9270
            7   C8y C    17.9076  -20.6352
            8   C8y C    17.9076  -22.0338
            9   C8x C    19.1188  -22.7331
            10  C8x C    20.3301  -22.0338
            11  C8y C    20.3301  -20.6352
            12  C8x C    19.1188  -19.9359
            13  X   Cl   16.6964  -19.9359
            14  X   Cl   16.6964  -22.7331
            15  C1b C    21.5599  -19.9249
            16  C5a C    22.7639  -20.6199
            17  N1c N    23.9451  -19.9378
            18  O5a O    22.7643  -22.0334
            19  C1a C    23.9451  -18.5375
            20  N1y N    26.3490  -18.5374
            21  C1x C    27.4936  -17.7056
            22  C1x C    27.0562  -16.3600
            23  C1x C    25.6412  -16.3601
            24  C1x C    25.2041  -17.7058
            25  O2x O    27.7068  -23.4244
            26  C1x C    29.0753  -23.7151
            27  C1x C    29.7746  -22.5037
            28  C1x C    28.8384  -21.4642
            29  O1d O    33.0021  -19.1896
            30  S4a S    33.0021  -20.5842
            31  C1a C    31.6077  -20.5842
            32  O1d O    34.3968  -20.5842
            33  O1d O    33.0021  -21.9787
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13    7  13 1
            14    8  14 1
            15   11  15 1
            16   15  16 1
            17   16  17 1
            18   16  18 2
            19   17  19 1
            20    1  17 1 #Down
            21    6  20 1 #Up
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   20  24 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30    4  25 1 #Up
            31    4  28 1 #Down
            32   29  30 2
            33   30  31 1
            34   30  32 1
            35   30  33 2

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