KEGG   DRUG: D06008Help
Entry
D06008                      Drug                                   

Name
Tariquidar (USAN/INN)
Formula
C38H38N4O6
Exact mass
646.2791
Mol weight
646.7315
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Adjunct to cytotoxic chemotherapies in oncology;
P-glycoprotein pump inhibitor
Remark
Drug group: 
Target
P-glycoprotein inhibitor [HSA:5243] [KO:K05658]
  Pathway
hsa02010  ABC transporters
hsa04976  Bile secretion  
 
Interaction
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   P-glycoprotein
    Tariquidar
     D06008  Tariquidar (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
206873-63-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C8y C    14.9800  -13.8600
            2   C8y C    14.9800  -15.2600
            3   C8x C    16.1924  -15.9600
            4   C8y C    17.4049  -15.2600
            5   C8y C    17.4049  -13.8600
            6   C8x C    16.1924  -13.1600
            7   C1x C    18.6173  -15.9600
            8   N1y N    19.8297  -15.2600
            9   C1x C    19.8297  -13.8600
            10  C1x C    18.6173  -13.1600
            11  O2a O    13.7676  -13.1600
            12  C1a C    12.5721  -13.8504
            13  O2a O    13.7676  -15.9600
            14  C1a C    12.5721  -15.2696
            15  C1b C    21.0273  -15.9515
            16  C1b C    22.2156  -15.2655
            17  C8y C    23.4064  -15.9531
            18  C8x C    23.4064  -17.3598
            19  C8x C    24.6188  -18.0598
            20  C8y C    25.8312  -17.3598
            21  C8x C    25.8312  -15.9532
            22  C8x C    24.6188  -15.2531
            23  N1b N    27.0428  -18.0593
            24  C5a C    28.2377  -17.3693
            25  C8y C    29.4254  -18.0549
            26  O5a O    28.2378  -15.9603
            27  C8x C    29.4255  -19.4598
            28  C8y C    30.6380  -20.1597
            29  C8y C    31.8503  -19.4596
            30  C8x C    31.8502  -18.0547
            31  C8y C    30.6377  -17.3548
            32  O2a O    33.0628  -20.1594
            33  N1b N    30.6377  -15.9602
            34  C5a C    31.8669  -15.2504
            35  C8y C    33.0707  -15.9455
            36  O5a O    31.8667  -13.8601
            37  C8x C    33.0710  -17.3597
            38  N5x N    34.2836  -18.0594
            39  C8y C    35.4959  -17.3592
            40  C8y C    35.4956  -15.9450
            41  C8x C    34.2830  -15.2452
            42  C8x C    36.7084  -18.0589
            43  C8x C    37.9207  -17.3586
            44  C8x C    37.9204  -15.9445
            45  C8x C    36.7079  -15.2447
            46  O2a O    30.6381  -21.5598
            47  C1a C    31.8670  -22.2694
            48  C1a C    34.2577  -19.4692
BOND        53
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14    2  13 1
            15   13  14 1
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   29  32 1
            36   31  33 1
            37   33  34 1
            38   34  35 1
            39   34  36 2
            40   35  37 2
            41   37  38 1
            42   38  39 2
            43   39  40 1
            44   40  41 2
            45   35  41 1
            46   39  42 1
            47   42  43 2
            48   43  44 1
            49   44  45 2
            50   40  45 1
            51   28  46 1
            52   46  47 1
            53   32  48 1

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