KEGG   DRUG: D03722Help
Entry
D03722                      Drug                                   

Name
Efegatran sulfate (USAN)
Formula
C21H32N6O3. H2SO4
Exact mass
514.221
Mol weight
514.5957
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombotic
Remark
Drug group: 
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
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   thrombin
    Efegatran
     D03722  Efegatran sulfate (USAN)
BRITE hierarchy
Other DBs
CAS: 
126721-07-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C1y C    27.8475  -14.6651
            2   N1y N    29.2502  -14.6651
            3   C5a C    26.6552  -13.9638
            4   N1b N    25.4629  -14.6651
            5   O5a O    26.6552  -12.5611
            6   C5a C    30.5126  -13.9638
            7   C1c C    31.7048  -14.6651
            8   N1b N    32.8971  -13.9638
            9   O5a O    30.5126  -12.5611
            10  C1b C    31.7048  -16.0678
            11  C1a C    34.1176  -14.6552
            12  C8y C    32.9196  -16.7691
            13  C8x C    32.9196  -18.1716
            14  C8x C    34.1344  -18.8729
            15  C8x C    35.3491  -18.1716
            16  C8x C    35.3491  -16.7691
            17  C8x C    34.1344  -16.0678
            18  C1c C    24.2425  -13.9737
            19  C1b C    23.0588  -14.6701
            20  C4a C    24.2309  -12.5617
            21  O4a O    25.4499  -11.9233
            22  C1b C    21.8636  -13.9638
            23  C1b C    20.6488  -14.6651
            24  N1b N    19.4341  -13.9638
            25  C2c C    18.2194  -14.6651
            26  N1a N    17.0046  -13.9638
            27  N2a N    18.2194  -16.0677
            28  C1x C    27.4141  -15.9992
            29  C1x C    28.5488  -16.8236
            30  C1x C    29.6836  -15.9992
            31  O1d O    37.1116  -16.0667
            32  S4a S    38.5143  -16.0667
            33  O1d O    38.5143  -17.4694
            34  O1d O    38.5143  -14.6640
            35  O1d O    39.9170  -16.0667
BOND        35
            1     1   2 1
            2     1   3 1 #Up
            3     3   4 1
            4     3   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 1 #Down
            8     6   9 2
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18    4  18 1
            19   18  19 1
            20   18  20 1
            21   20  21 2
            22   19  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 2
            28    1  28 1
            29   28  29 1
            30   29  30 1
            31    2  30 1
            32   31  32 1
            33   32  33 2
            34   32  34 2
            35   32  35 1

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