KEGG   DRUG: D01981Help
Entry
D01981                      Drug                                   

Name
Ximelagatran (JAN/USAN/INN);
Exanta (TN)
Formula
C24H35N5O5
Exact mass
473.2638
Mol weight
473.5652
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombotic
Remark
ATC code: 
Drug group: 
Comment
Prodrug, active substance: Meragatran [DR:D07143]
Target
thrombin inhibitor [HSA:2147] [KO:K01313]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
hsa04810  Regulation of actin cytoskeleton  
 
Interaction
Drug interaction
Structure map
Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AE Direct thrombin inhibitors
     B01AE05 Ximelagatran
      D01981  Ximelagatran (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   thrombin
    Ximelagatran
     D01981  Ximelagatran (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
192939-46-1
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1y C    24.7956  -17.6345
            2   C1x C    24.7956  -19.0338
            3   C1x C    26.1950  -19.0338
            4   N1y N    26.1950  -17.6345
            5   C5a C    23.5837  -16.9348
            6   N1b N    22.3718  -17.6345
            7   C1b C    21.1599  -16.9348
            8   C8y C    19.9481  -17.6345
            9   O5a O    23.5837  -15.5354
            10  C8x C    18.7335  -16.9332
            11  C8x C    17.5216  -17.6329
            12  C8y C    17.5216  -19.0323
            13  C8x C    18.7362  -19.7335
            14  C8x C    19.9480  -19.0338
            15  C2c C    16.3096  -19.7378
            16  N1b N    15.0973  -19.0379
            17  O1b O    13.8850  -19.7378
            18  N2a N    16.3121  -21.1376
            19  C5a C    27.4127  -16.9383
            20  C1c C    28.6250  -17.6381
            21  N1b N    29.8372  -16.9383
            22  C1b C    31.0495  -17.6381
            23  O5a O    27.4157  -15.5385
            24  C1y C    28.6250  -19.0379
            25  C1x C    27.4141  -19.7370
            26  C1x C    27.4141  -21.1368
            27  C1x C    28.6263  -21.8367
            28  C1x C    29.8372  -21.1376
            29  C1x C    29.8372  -19.7378
            30  C7a C    32.2654  -16.9383
            31  O7a O    33.4777  -17.6381
            32  C1b C    34.6899  -16.9383
            33  O6a O    32.2663  -15.5385
            34  C1a C    35.9042  -17.6393
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     1   5 1 #Up
            6     5   6 1
            7     6   7 1
            8     7   8 1
            9     5   9 2
            10    8  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   15  18 2
            20    4  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   19  23 2
            25   20  24 1 #Down
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   24  29 1
            32   22  30 1
            33   30  31 1
            34   31  32 1
            35   30  33 2
            36   32  34 1

» Japanese version   » Back

DBGET integrated database retrieval system