KEGG   DRUG: MelagatranHelp
Entry
D07143                      Drug                                   

Name
Melagatran (INN)
Formula
C22H31N5O4
Exact mass
429.2376
Mol weight
429.5126
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01511  Thrombin inhibitor
 DG01950  Antithrombotic agent
  DG01511  Thrombin inhibitor
Remark
ATC code: 
Activity
Anticoagulant, Thrombin inhibitor
Target
F2 [HSA:2147] [KO:K01313]
  Pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeleton
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AE Direct thrombin inhibitors
     B01AE04 Melagatran
      D07143  Melagatran (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   thrombin
    Melagatran
     D07143  Melagatran (INN)
BRITE hierarchy
Other DBs
CAS: 
159776-70-2
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1y C    31.2900  -18.7600
            2   C1x C    32.4800  -19.4600
            3   C1x C    32.4800  -20.8600
            4   C1x C    31.2900  -21.6300
            5   C1x C    30.0300  -20.8600
            6   C1x C    30.0300  -19.4600
            7   C8y C    20.0900  -18.7600
            8   C8x C    20.0900  -17.3600
            9   C8x C    21.2800  -16.6600
            10  C8y C    22.5400  -17.3600
            11  C8x C    22.5400  -18.7600
            12  C8x C    21.2800  -19.4600
            13  C2c C    18.8300  -19.4600
            14  N1a N    17.6400  -18.7600
            15  C1b C    23.7300  -16.6600
            16  N1b N    24.9900  -17.3600
            17  C5a C    26.1800  -16.6600
            18  N2a N    18.8300  -20.8600
            19  O5a O    26.1800  -15.2600
            20  C1y C    27.4400  -17.3600
            21  N1y N    28.8400  -17.3600
            22  C1x C    28.8400  -18.6200
            23  C1x C    27.5100  -18.6200
            24  C5a C    30.0300  -16.6600
            25  C1c C    31.2900  -17.3600
            26  N1b N    32.4800  -16.6600
            27  C1b C    33.6700  -17.3600
            28  C6a C    34.9300  -16.6600
            29  O6a O    36.1200  -17.3600
            30  O5a O    30.0300  -15.2600
            31  O6a O    34.9300  -15.2600
BOND        33
            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   13  14 1
            15   10  15 1
            16   15  16 1
            17   16  17 1
            18   13  18 2
            19   17  19 2
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   20  23 1
            24   21  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   24  30 2
            31   28  31 2
            32   20  17 1 #Up
            33   25   1 1 #Down

» Japanese version   » Back

DBGET integrated database retrieval system