KEGG   DRUG: D06387Help
Entry
D06387                      Drug                                   

Name
Zosuquidar trihydrochloride (USAN)
Formula
C32H31F2N3O2. 3HCl
Exact mass
635.1685
Mol weight
636.9871
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of multidrug resistance [modulator of P-gp resistance]
Target
P-glycoprotein inhibitor [HSA:5243] [KO:K05658]
  Pathway
hsa02010  ABC transporters
hsa04976  Bile secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   P-glycoprotein
    Zosuquidar
     D06387  Zosuquidar trihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
167465-36-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        42
            1   X   Cl   47.2500  -30.5900
            2   C8y C    35.7700  -30.9400
            3   C1y C    34.8600  -31.9900
            4   C1y C    33.4600  -31.9900
            5   C8y C    32.6200  -30.8700
            6   C8y C    35.4900  -29.6100
            7   C8y C    32.9700  -29.4700
            8   C1y C    34.3000  -28.8400
            9   C8x C    37.1700  -31.4300
            10  C8x C    38.2200  -30.5200
            11  C8x C    37.9400  -29.0500
            12  C8x C    36.6100  -28.6300
            13  C8x C    31.9900  -28.4200
            14  C8x C    30.6600  -28.8400
            15  C8x C    30.3100  -30.2400
            16  C8x C    31.2900  -31.2200
            17  X   F    33.1800  -34.1600
            18  X   F    35.1400  -34.1600
            19  C1z C    34.1600  -33.1800
            20  N1y N    34.3000  -27.4400
            21  C1x C    35.4900  -26.7400
            22  C1x C    35.4900  -25.3400
            23  N1y N    34.3000  -24.6400
            24  C1x C    33.1100  -25.3400
            25  C1x C    33.1100  -26.7400
            26  C1b C    34.3000  -23.2400
            27  C1c C    35.4900  -22.5400
            28  C1b C    36.6800  -23.2400
            29  O1a O    35.4900  -21.1400
            30  O2a O    37.9400  -22.5400
            31  C8y C    39.1300  -23.2400
            32  C8x C    39.1300  -24.6400
            33  C8x C    40.3900  -25.3400
            34  C8x C    41.5800  -24.6400
            35  C8y C    41.5800  -23.2400
            36  C8y C    40.3900  -22.5400
            37  N5x N    42.7700  -22.5400
            38  C8x C    42.7700  -21.1400
            39  C8x C    41.5800  -20.4400
            40  C8x C    40.3900  -21.1400
            41  X   Cl   47.2500  -30.5900
            42  X   Cl   47.2500  -30.5900
BOND        45
            1     4   5 1
            2     2   6 1
            3     5   7 1
            4     6   8 1
            5     7   8 1
            6     2   9 2
            7     9  10 1
            8    10  11 2
            9    11  12 1
            10    6  12 2
            11    7  13 2
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15    5  16 2
            16    3   4 1
            17    2   3 1
            18   18  19 1
            19   19  17 1
            20    3  19 1 #Up
            21    4  19 1 #Up
            22    8  20 1 #Down
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   23  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1 #Up
            33   28  30 1
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   31  36 1
            41   35  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 2
            45   36  40 1
BRACKET     1    45.5700  -31.3600   45.5700  -29.5400
            1    48.0200  -29.5400   48.0200  -31.3600
            1  3
 ORIGINAL  1    1
 REPEAT    1   41  42

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