KEGG   DRUG: Talmapimod
Entry
D09386                      Drug                                   
Name
Talmapimod (USAN/INN)
Formula
C27H30ClFN4O3
Exact mass
512.199
Mol weight
513.0035
Structure
Efficacy
Immunomodulator, Mitogen-activated protein kinase inhibitor
Target
P38alpha (MAPK14) [HSA:1432] [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 kinases
   CMGC group
    P38alpha (MAPK14)
     D09386  Talmapimod (USAN/INN)
Other DBs
CAS: 309913-83-5
PubChem: 96026066
ChEBI: 90683
PDB-CCD: 469[PDBj]
LigandBox: D09386
KCF data

ATOM        36
            1   N1y N    20.4400  -22.2600
            2   C1x C    20.4400  -23.6600
            3   C1y C    21.6300  -24.3600
            4   N1y N    22.8900  -23.6600
            5   C1x C    22.8900  -22.2600
            6   C1y C    21.6300  -21.5600
            7   C5a C    24.0800  -24.3600
            8   C8y C    25.2700  -23.6600
            9   C1b C    19.2500  -21.5600
            10  C8y C    18.0600  -22.2600
            11  C8x C    26.4600  -24.3600
            12  C8y C    27.7200  -23.6600
            13  C8y C    27.7200  -22.2600
            14  C8x C    26.5300  -21.5600
            15  C8y C    25.2700  -22.2600
            16  O5a O    24.0800  -25.7600
            17  C8y C    29.0500  -24.0800
            18  C8x C    29.8200  -22.9600
            19  N4y N    29.0500  -21.8400
            20  C5a C    29.7500  -25.2700
            21  C5a C    31.1500  -25.2700
            22  N1c N    31.8500  -26.4600
            23  C1a C    33.2500  -26.4600
            24  C1a C    31.1500  -27.6500
            25  O5a O    31.8500  -24.0800
            26  O5a O    29.0500  -26.4600
            27  C1a C    29.7500  -20.6500
            28  X   Cl   24.0634  -21.5500
            29  C8x C    16.8419  -21.5699
            30  C8x C    15.6352  -22.2797
            31  C8y C    15.5766  -23.6797
            32  C8x C    16.8647  -24.3698
            33  C8x C    18.0714  -23.6600
            34  X   F    14.3943  -24.3543
            35  C1a C    21.6300  -20.1600
            36  C1a C    21.6300  -25.7600
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     4   7 1
            8     7   8 1
            9     1   9 1
            10    9  10 1
            11    8  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16    8  15 2
            17    7  16 2
            18   12  17 1
            19   17  18 2
            20   18  19 1
            21   13  19 1
            22   20  21 1
            23   20  17 1
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   21  25 2
            28   20  26 2
            29   27  19 1
            30   15  28 1
            31   10  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   10  33 1
            37   31  34 1
            38    6  35 1 #Up
            39    3  36 1 #Down

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (7)   

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