KEGG   DRUG: D01379Help
Entry
D01379                      Drug                                   

Name
Proscillaridin (JAN/USAN/INN);
Talusin (TN)
Formula
C30H42O8
Exact mass
530.288
Mol weight
530.6497
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
Same as: 
ATC code: 
Target
Na+,K+-ATPase inhibitor [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
  Pathway
hsa04260  Cardiac muscle contraction  
 
Interaction
Drug interaction
Structure map
Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AB Scilla glycosides
     C01AB01 Proscillaridin
      D01379  Proscillaridin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
    Proscillaridin [ATC:C01AB01]
     D01379  Proscillaridin (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
466-06-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   C1x C    17.4129  -18.5857
            2   C1y C    17.4129  -19.9683
            3   C2x C    18.6132  -20.6595
            4   C1x C    18.6132  -17.8943
            5   C1z C    19.8064  -18.5857
            6   C2y C    19.8005  -19.9683
            7   C1x C    20.9950  -20.6647
            8   C1x C    22.1953  -19.9785
            9   C1y C    21.0067  -17.8995
            10  C1y C    22.1953  -18.5989
            11  C1x C    22.2179  -15.8408
            12  C1x C    21.0182  -16.5205
            13  C1z C    23.4067  -16.5400
            14  C1x C    25.7878  -16.5689
            15  C1y C    24.6056  -15.8671
            16  C1x C    25.7713  -17.8736
            17  C1z C    23.4024  -17.8572
            18  C8y C    24.6222  -14.4845
            19  C1a C    23.3973  -15.1570
            20  C1a C    19.7941  -17.2029
            21  O2a O    16.2159  -20.6601
            22  C8x C    25.8249  -13.8133
            23  C8x C    25.8416  -12.3606
            24  C8y C    24.6527  -11.7249
            25  O7x O    23.4470  -12.4017
            26  C8x C    23.4304  -13.7842
            27  O6a O    24.6695  -10.3424
            28  O1a O    23.3904  -19.3048
            29  C1y C    15.0182  -19.9696
            30  O2x O    15.0179  -18.5883
            31  C1y C    13.8200  -17.8976
            32  C1y C    12.6230  -18.5895
            33  C1y C    12.6238  -19.9721
            34  C1y C    13.8214  -20.6628
            35  C1a C    13.8194  -16.5150
            36  O1a O    13.8230  -22.0456
            37  O1a O    11.4267  -20.6640
            38  O1a O    11.4253  -17.8988
BOND        43
            1     9   5 1
            2    13  19 1 #Up
            3     5   4 1
            4     5  20 1 #Up
            5     4   1 1
            6     2  21 1 #Up
            7     1   2 1
            8     9  10 1
            9    10  17 1
            10   13  11 1
            11   18  22 1
            12   22  23 2
            13   23  24 1
            14   24  25 1
            15   25  26 1
            16   26  18 2
            17   11  12 1
            18   24  27 2
            19   12   9 1
            20   17  28 1 #Up
            21    2   3 1
            22   29  21 1 #Up
            23    3   6 2
            24    5   6 1
            25   13  17 1
            26   16  14 1
            27   14  15 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  29 1
            34   15  13 1
            35   31  35 1 #Down
            36    6   7 1
            37   34  36 1 #Down
            38    7   8 1
            39   33  37 1 #Down
            40   16  17 1
            41   32  38 1 #Up
            42    8  10 1
            43   15  18 1 #Up

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