KEGG   DRUG: D05085Help
Entry
D05085                      Drug                                   

Name
Moxilubant maleate (USAN)
Formula
C26H37N3O4. C4H4O4
Exact mass
571.2894
Mol weight
571.6618
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antirheumatic;
Anti-inflammatory [nonsteroidal];
Antipsoriatic
Remark
Drug group: 
Target
Leukotriene B4 receptor antagonist [HSA:1241 56413] [KO:K04296 K04297]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Leukotriene
    leukotriene B4 receptor
     Moxilubant
      D05085  Moxilubant maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 
147398-01-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        41
            1   C8y C    26.2923  -14.8872
            2   C8y C    26.2923  -13.4829
            3   C8x C    27.4859  -12.7807
            4   C8x C    28.7497  -13.4829
            5   C8y C    28.7497  -14.8872
            6   C8x C    27.4859  -15.5892
            7   O2a O    25.0987  -15.5892
            8   O2a O    25.0987  -12.7807
            9   C1a C    23.9051  -14.8872
            10  C1b C    23.9051  -13.4829
            11  C5a C    29.9433  -15.5892
            12  N1c N    31.1369  -14.8872
            13  O5a O    29.9433  -16.9935
            14  C1b C    22.6832  -12.7907
            15  C1b C    21.4983  -13.4879
            16  C1b C    20.2892  -12.8028
            17  C1b C    19.1145  -13.4938
            18  O2a O    17.9004  -12.8057
            19  C8y C    16.6766  -13.5259
            20  C8x C    15.4639  -12.8393
            21  C8x C    14.2537  -13.5517
            22  C8y C    14.2657  -14.9560
            23  C8x C    15.4782  -15.6425
            24  C8x C    16.6884  -14.9301
            25  C2c C    13.0701  -15.6599
            26  N2a N    11.8649  -14.9775
            27  C1c C    32.3586  -15.5793
            28  C1c C    31.1954  -13.4829
            29  C1a C    29.9124  -12.7956
            30  C1a C    32.3444  -12.7660
            31  C1a C    33.5437  -14.8821
            32  C1a C    32.3701  -16.9929
            33  N1a N    13.0818  -17.0800
            34  C2b C    20.1959  -17.1912
            35  C2b C    18.3787  -17.1912
            36  C6a C    17.7496  -18.3794
            37  C6a C    20.8250  -18.3794
            38  O6a O    18.3787  -19.5676
            39  O6a O    20.1959  -19.5676
            40  O6a O    22.2229  -18.3794
            41  O6a O    16.4216  -18.3794
BOND        41
            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     1   7 1
            8     2   8 1
            9     7   9 1
            10    8  10 1
            11    5  11 1
            12   11  12 1
            13   11  13 2
            14   10  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   22  25 1
            27   25  26 2
            28   12  27 1
            29   12  28 1
            30   28  29 1
            31   28  30 1
            32   27  31 1
            33   27  32 1
            34   25  33 1
            35   34  35 2
            36   35  36 1
            37   34  37 1
            38   36  38 2
            39   37  39 1
            40   37  40 2
            41   36  41 1

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