KEGG   DRUG: D09718Help
Entry
D09718                      Drug                                   

Name
Sotrastaurin acetate (USAN)
Formula
C25H22N6O2. C2H4O2
Exact mass
498.2016
Mol weight
498.5331
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Transplantation, T-cell mediated acute or chronic inflammatory diseases
Target
novel protein kinase C (NPKC) inhibitor [HSA:5580 5581 5583 5588] [KO:K06068 K18050 K18051 K18052]
  Pathway
hsa04270  Vascular smooth muscle contraction
hsa04530  Tight junction
hsa04660  T cell receptor signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: AGC group
   PKC family
    novel protein kinase C
     Sotrastaurin
      D09718  Sotrastaurin acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 
908351-31-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        37
            1   C2y C    20.6500  -23.2400
            2   C2y C    20.6500  -21.8400
            3   C5x C    19.3200  -21.4200
            4   N1x N    18.4800  -22.5400
            5   C5x C    19.3200  -23.6600
            6   C8y C    21.8400  -23.9400
            7   C8y C    21.8400  -25.3400
            8   C8y C    23.0300  -26.0400
            9   N5x N    24.2900  -25.3400
            10  C8y C    24.2900  -23.9400
            11  N5x N    23.0300  -23.2400
            12  C8x C    20.6500  -26.0400
            13  C8x C    20.6500  -27.4400
            14  C8x C    21.8400  -28.1400
            15  C8x C    23.0300  -27.4400
            16  C8y C    21.8400  -21.1400
            17  C8y C    21.8400  -19.6700
            18  C8x C    23.1700  -21.5600
            19  N4x N    24.0100  -20.4400
            20  C8y C    23.1700  -19.2500
            21  C8x C    23.5200  -17.9200
            22  C8x C    22.4700  -16.9400
            23  C8x C    21.1400  -17.3600
            24  C8x C    20.8600  -18.7600
            25  O5x O    18.9000  -20.0200
            26  O5x O    18.9000  -24.9900
            27  N1y N    25.5500  -23.1700
            28  C1x C    26.7400  -23.8700
            29  C1x C    27.9300  -23.1700
            30  N1y N    27.9300  -21.7700
            31  C1x C    26.7400  -21.0700
            32  C1x C    25.5500  -21.7700
            33  C1a C    29.1200  -21.0700
            34  C6a C    29.4000  -26.9500
            35  O6a O    30.6124  -27.6500
            36  C1a C    28.1876  -27.6500
            37  O6a O    29.4000  -25.5500
BOND        41
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    6  11 2
            12    7  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16    8  15 2
            17    6   1 1
            18   16   2 1
            19   17  16 1
            20   16  18 2
            21   18  19 1
            22   19  20 1
            23   17  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   17  24 2
            29    3  25 2
            30    5  26 2
            31   10  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   27  32 1
            38   30  33 1
            39   34  35 1
            40   34  36 1
            41   34  37 2

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