KEGG   DRUG: D03736Help
Entry
D03736                      Drug                                   

Name
Doramapimod (USAN/INN)
Formula
C31H37N5O3
Exact mass
527.2896
Mol weight
527.6572
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of rheumatoid arthritis, Crohn's disease and psoriasis
Target
mitogen-activated protein kinase (p38) inhibitor [HSA:1432 5600 5603 6300] [KO:K04441]
  Pathway
hsa04010  MAPK signaling pathway
hsa04370  VEGF signaling pathway
hsa04380  Osteoclast differentiation  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: CMGC group
   MAPK family
    p38 MAP kinase
     Doramapimod
      D03736  Doramapimod (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
285983-48-4
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        39
            1   N1b N    25.7277  -15.1685
            2   C5a C    26.9387  -14.4693
            3   N1b N    28.1498  -15.1685
            4   C8y C    29.3609  -14.4693
            5   O5a O    26.9387  -13.0711
            6   C8y C    30.5740  -15.1697
            7   C8y C    31.7850  -14.4705
            8   C8y C    31.7850  -13.0721
            9   C8x C    30.5719  -12.3717
            10  C8x C    29.3609  -13.0709
            11  C8x C    30.5740  -16.5681
            12  C8x C    31.7850  -17.2673
            13  C8x C    32.9960  -16.5681
            14  C8x C    32.9960  -15.1697
            15  O2a O    33.0218  -12.3717
            16  C1b C    34.2329  -13.0709
            17  C1b C    35.4440  -12.3717
            18  N1y N    36.6550  -13.0709
            19  C1x C    36.6550  -14.4692
            20  C1x C    37.8661  -15.1684
            21  O2x O    39.0771  -14.4692
            22  C1x C    39.0771  -13.0709
            23  C1x C    37.8661  -12.3717
            24  C8y C    24.5166  -14.4693
            25  C8x C    24.0751  -13.1405
            26  C8y C    22.6792  -13.1461
            27  N5x N    22.2532  -14.4754
            28  N4y N    23.3859  -15.2914
            29  C8y C    23.3916  -16.6876
            30  C8x C    22.1602  -17.4048
            31  C8x C    22.1655  -18.8032
            32  C8y C    23.3792  -19.4978
            33  C8x C    24.6105  -18.7806
            34  C8x C    24.6052  -17.3823
            35  C1a C    23.3845  -20.8974
            36  C1d C    21.8518  -12.0170
            37  C1a C    20.9118  -10.9815
            38  C1a C    22.8872  -11.0770
            39  C1a C    20.8164  -12.9570
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 2
            5     4   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    4  10 1
            11    6  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    7  14 1
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26    1  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   24  28 1
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   32  35 1
            40   26  36 1
            41   36  37 1
            42   36  38 1
            43   36  39 1

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