KEGG   DRUG: MitratapideHelp
Entry
D05060                      Drug                                   

Name
Mitratapide (USAN/INN)
Formula
C36H41ClN8O4S
Exact mass
716.266
Mol weight
717.2799
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antiobesity (veterinary)
Comment
Management of obesity in dogs
Target
MTTP [HSA:4547] [KO:K14463]
  Pathway
hsa04975  Fat digestion and absorption
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Digestive system
   Fat digestion and absorption
    MTTP
     D05060  Mitratapide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 179602-65-4
PubChem: 47206787
ChEMBL: CHEMBL2104975
LigandBox: D05060
LinkDB All DBs
KCF data Show

ATOM        50
            1   C8x C    16.4500  -23.8000
            2   C8y C    16.4500  -25.2000
            3   C8x C    17.6624  -25.9000
            4   C8x C    18.8749  -25.2000
            5   C8y C    18.8749  -23.8000
            6   C8x C    17.6624  -23.1000
            7   N1y N    20.1060  -23.0890
            8   C1x C    21.3112  -23.7847
            9   C1x C    22.5235  -23.0846
            10  N1y N    22.5235  -21.6846
            11  C1x C    21.3183  -20.9889
            12  C1x C    20.1059  -21.6890
            13  C8y C    23.7414  -20.9812
            14  C8x C    24.9534  -21.6807
            15  C8x C    26.1657  -20.9806
            16  C8y C    26.1655  -19.5806
            17  C8x C    24.9536  -18.8810
            18  C8x C    23.7412  -19.5812
            19  O2a O    27.3801  -18.8791
            20  C1b C    28.5940  -19.5796
            21  C1y C    29.7720  -18.8992
            22  N4y N    15.2376  -25.9000
            23  C8y C    14.1018  -25.1135
            24  N4y N    13.0066  -25.9522
            25  N5x N    13.4658  -27.2530
            26  C8x C    14.8449  -27.2182
            27  C1c C    11.7942  -25.2522
            28  C1b C    10.5817  -25.9522
            29  C1a C    11.7937  -23.8704
            30  C1a C     9.3684  -25.2516
            31  O5x O    14.0684  -23.7300
            32  O2x O    30.9119  -19.6810
            33  C1z C    32.0040  -18.8370
            34  O2x O    31.5388  -17.5375
            35  C1x C    30.1592  -17.5785
            36  C8y C    32.9939  -19.8269
            37  C1b C    32.9939  -17.8470
            38  C8x C    32.9939  -21.2269
            39  C8x C    34.2064  -21.9269
            40  C8y C    35.4188  -21.2269
            41  C8x C    35.4188  -19.8269
            42  C8x C    34.2064  -19.1269
            43  X   Cl   36.6248  -21.9231
            44  S2a S    34.3939  -17.8470
            45  C8y C    35.0865  -16.6472
            46  N5x N    36.4700  -16.6493
            47  N5x N    36.8973  -15.3347
            48  C8x C    35.7792  -14.5221
            49  N4y N    34.6608  -15.3344
            50  C1a C    33.3184  -14.8976
BOND        56
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   21  20 1 #Down
            24    2  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 2
            29   22  26 1
            30   24  27 1
            31   27  28 1
            32   27  29 1 #Up
            33   28  30 1
            34   23  31 2
            35   21  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   21  35 1
            40   33  36 1 #Up
            41   33  37 1 #Down
            42   36  38 2
            43   38  39 1
            44   39  40 2
            45   40  41 1
            46   41  42 2
            47   36  42 1
            48   40  43 1
            49   37  44 1
            50   44  45 1
            51   45  46 2
            52   46  47 1
            53   47  48 2
            54   48  49 1
            55   45  49 1
            56   49  50 1

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