KEGG   DRUG: Linerixibat
Entry
D11539                      Drug                                   
Name
Linerixibat (JAN/USAN)
Formula
C28H38N2O7S
Exact mass
546.24
Mol weight
546.6755
Structure
Efficacy
Lipid-lowering agent, Bile acid transporter (ASBT/IBAT) inhibitor
Comment
Treatment of liver disease associated with cholestasis
Target
SLC10A2 (ASBT, IBAT) [HSA:6555] [KO:K14342]
  Pathway
hsa04976  Bile secretion
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC10
    SLC10A2 (ASBT, IBAT)
     D11539  Linerixibat (JAN/USAN)
Other DBs
CAS: 1345982-69-5
PubChem: 384585515
LinkDB
KCF data

ATOM        38
            1   C8y C    20.1600  -15.5400
            2   S2x S    19.0400  -14.6300
            3   C1x C    17.7100  -14.9800
            4   C1z C    17.0800  -16.2400
            5   C8y C    20.1600  -16.9400
            6   N1x N    17.7100  -17.5000
            7   C1y C    19.0400  -17.7800
            8   C8x C    21.3724  -17.6400
            9   C8y C    22.5849  -16.9400
            10  C8y C    22.5849  -15.5400
            11  C8x C    21.3724  -14.8400
            12  O3c O    18.6777  -13.2777
            13  O3c O    20.2524  -13.9300
            14  C8y C    19.3428  -19.1469
            15  C8x C    18.2814  -20.1188
            16  C8x C    18.5839  -21.4857
            17  C8x C    19.9190  -21.9071
            18  C8x C    20.9804  -20.9352
            19  C8x C    20.6779  -19.5683
            20  C1b C    16.0901  -17.2299
            21  C1b C    15.8676  -15.5400
            22  C1b C    14.6721  -16.2304
            23  C1b C    13.4847  -15.5449
            24  C1a C    12.2935  -16.2329
            25  C1a C    16.0901  -18.6299
            26  O2a O    23.8160  -17.6510
            27  C1a C    25.0212  -16.9553
            28  C1b C    23.8160  -14.8290
            29  N1b N    25.0212  -15.5247
            30  C1c C    26.2035  -14.8419
            31  C1b C    27.3975  -15.5312
            32  C1b C    26.2035  -13.4402
            33  C6a C    24.9735  -12.7299
            34  O6a O    23.7691  -13.4252
            35  O6a O    24.9736  -11.3401
            36  C6a C    28.5854  -14.8452
            37  O6a O    29.7765  -15.5329
            38  O6a O    28.5855  -13.4402
BOND        40
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     5   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    1  11 2
            13    2  12 2
            14    2  13 2
            15    7  14 1 #Up
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    4  20 1
            23    4  21 1 #Down
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   20  25 1
            28    9  26 1
            29   26  27 1
            30   10  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 1
            35   32  33 1
            36   33  34 1
            37   33  35 2
            38   31  36 1
            39   36  37 1
            40   36  38 2

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