KEGG   DRUG: Efegatran sulfateHelp
Entry
D03722                      Drug                                   

Name
Efegatran sulfate (USAN)
Formula
C21H32N6O3. H2SO4
Exact mass
514.221
Mol weight
514.5957
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01511  Thrombin inhibitor
Activity
Antithrombotic
Target
thrombin [HSA:2147] [KO:K01313]
  Pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
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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