KEGG   DRUG: Spiradoline mesylate
Entry
D05907                      Drug                                   

Name
Spiradoline mesylate (USAN)
Formula
C22H30Cl2N2O2. CH4SO3
Exact mass
520.1565
Mol weight
521.4975
Structure
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
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)
Other DBs
CAS: 87173-97-5
PubChem: 47207565
ChEMBL: CHEMBL1256692
LigandBox: D05907
LinkDB
KCF data

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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