KEGG   DRUG: Atiprimod dimaleateHelp
Entry
D03004                      Drug                                   

Name
Atiprimod dimaleate (USAN)
Formula
C22H44N2. (C4H4O4)2
Exact mass
568.3724
Mol weight
568.7425
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02069
Efficacy
Anti-inflammatory, Immunomodulator
Target
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
  Pathway
hsa04217  Necroptosis
hsa04630  JAK-STAT signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK2
     D03004  Atiprimod dimaleate (USAN)
    JAK3
     D03004  Atiprimod dimaleate (USAN)
BRITE hierarchy
Other DBs
CAS: 183063-72-1
PubChem: 17397160
ChEMBL: CHEMBL3989809
LigandBox: D03004
LinkDB All DBs
KCF data Show

ATOM        40
            1   C1x C    15.8393  -19.6137
            2   C1x C    17.2324  -19.6137
            3   C1z C    17.9289  -18.4073
            4   C1x C    17.2324  -17.2009
            5   C1x C    15.8393  -17.2009
            6   C1z C    15.1429  -18.4073
            7   C1x C    18.6254  -19.6137
            8   C1x C    19.9880  -19.3240
            9   N1y N    20.1337  -17.9387
            10  C1x C    18.8610  -17.3721
            11  C1b C    14.4464  -17.2009
            12  C1b C    14.4464  -19.6137
            13  C1b C    13.0533  -17.2009
            14  C1b C    13.0533  -19.6137
            15  C1a C    12.3459  -15.9760
            16  C1a C    12.3568  -20.8201
            17  C1b C    21.3640  -17.2456
            18  C1b C    22.5705  -17.9421
            19  C1b C    23.7769  -17.2456
            20  N1c N    24.9832  -17.9421
            21  C1b C    26.1897  -17.2456
            22  C1a C    27.3961  -17.9421
            23  C1b C    24.9832  -19.3351
            24  C1a C    23.7769  -20.0316
            25  C2b C    23.8781  -21.8958
            26  C2b C    25.6162  -21.8958
            27  C6a C    26.3113  -23.0776
            28  C6a C    23.1830  -23.0776
            29  O6a O    21.7926  -23.0776
            30  O6a O    27.6322  -23.0776
            31  O6a O    25.6162  -24.2594
            32  O6a O    23.8781  -24.2594
            33  C2b C    23.8781  -21.8958
            34  C2b C    25.6162  -21.8958
            35  C6a C    26.3113  -23.0776
            36  O6a O    27.6322  -23.0776
            37  O6a O    25.6162  -24.2594
            38  C6a C    23.1830  -23.0776
            39  O6a O    21.7926  -23.0776
            40  O6a O    23.8781  -24.2594
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    6  11 1
            13    6  12 1
            14   11  13 1
            15   12  14 1
            16   13  15 1
            17   14  16 1
            18    9  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   20  23 1
            25   23  24 1
            26   25  26 2
            27   26  27 1
            28   25  28 1
            29   28  29 1
            30   27  30 2
            31   27  31 1
            32   28  32 2
            33   33  34 2
            34   34  35 1
            35   33  38 1
            36   38  39 1
            37   35  36 2
            38   35  37 1
            39   38  40 2
BRACKET     1    20.3700  -25.2000   20.3700  -21.0700
            1    28.2800  -21.0700   28.2800  -25.2000
            1  2
 ORIGINAL  1   25  26  27  30  31  28  29  32
 REPEAT    1   33  34  35  36  37  38  39  40

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