KEGG   DRUG: Sotrastaurin
Entry
D09671                      Drug                                   
Name
Sotrastaurin (USAN/INN)
Formula
C25H22N6O2
Exact mass
438.1804
Mol weight
438.48
Structure
Simcomp
Remark
Chemical structure group: DG01406
Efficacy
Antipsoriatic, Immunosuppressant, Protein kinase C inhibitor
Comment
Transplantation, T-cell mediated acute or chronic inflammatory diseases or disorders, or autoimmune diseases
Target
PRKCD [HSA:5580] [KO:K06068]
PRKCE [HSA:5581] [KO:K18050]
PRKCH [HSA:5583] [KO:K18051]
PRKCQ [HSA:5588] [KO:K18052]
  Pathway
hsa04660  T cell receptor signaling pathway
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    PRKCD
     D09671  Sotrastaurin (USAN/INN)
    PRKCE
     D09671  Sotrastaurin (USAN/INN)
    PRKCH
     D09671  Sotrastaurin (USAN/INN)
    PRKCQ
     D09671  Sotrastaurin (USAN/INN)
Other DBs
CAS: 425637-18-9
PubChem: 124490411
PDB-CCD: LW4[PDBj]
LigandBox: D09671
LinkDB
KCF data

ATOM        33
            1   C2y C    14.0700  -23.4500
            2   C2y C    14.0700  -22.0500
            3   C5x C    12.7400  -21.6300
            4   N1x N    11.9000  -22.7500
            5   C5x C    12.7400  -23.8700
            6   C8y C    15.2600  -24.1500
            7   C8y C    15.2600  -25.5500
            8   C8y C    16.4500  -26.2500
            9   N5x N    17.7100  -25.5500
            10  C8y C    17.7100  -24.1500
            11  N5x N    16.4500  -23.4500
            12  C8x C    14.0700  -26.2500
            13  C8x C    14.0700  -27.6500
            14  C8x C    15.2600  -28.3500
            15  C8x C    16.4500  -27.6500
            16  C8y C    15.2600  -21.3500
            17  C8y C    15.2600  -19.9500
            18  C8x C    16.5900  -21.7700
            19  N4x N    17.4300  -20.6500
            20  C8y C    16.5900  -19.5300
            21  C8x C    16.8924  -18.1631
            22  C8x C    15.8598  -17.2177
            23  C8x C    14.5298  -17.6377
            24  C8x C    14.2274  -19.0046
            25  O5x O    12.3120  -20.2970
            26  O5x O    12.3120  -25.2030
            27  N1y N    18.9166  -23.4400
            28  C1x C    20.1263  -24.1253
            29  C1x C    21.3330  -23.4155
            30  N1y N    21.3216  -22.0155
            31  C1x C    20.1119  -21.3302
            32  C1x C    18.9052  -22.0401
            33  C1a C    22.5336  -21.3023
BOND        38
            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

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