KEGG   DRUG: Ganetespib
Entry
D10126                      Drug                                   
Name
Ganetespib (USAN)
Formula
C20H20N4O3
Exact mass
364.1535
Mol weight
364.40
Structure
Efficacy
Antineoplastic, Hsp 90 inhibitor
Target
HSP90 [HSA:3320 3326 7184] [KO:K04079 K09487]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04915  Estrogen signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Genetic information processing
   Chaperone and folding catalyst
    HSP90
     D10126  Ganetespib (USAN)
Other DBs
CAS: 888216-25-9
PubChem: 135626844
ChEBI: 177770
PDB-CCD: TUH[PDBj]
LigandBox: D10126
LinkDB
KCF data

ATOM        27
            1   C8y C    22.8500  -23.3395
            2   C8y C    22.8500  -24.7367
            3   C8x C    24.0376  -25.4353
            4   C8y C    25.2950  -24.7367
            5   C8y C    25.2950  -23.3395
            6   C8x C    24.0376  -22.6409
            7   O1a O    26.4826  -25.4353
            8   O1a O    21.6624  -25.4353
            9   C1c C    21.6624  -22.6409
            10  C1a C    20.4747  -23.3395
            11  C1a C    21.6624  -21.2438
            12  C8y C    26.4826  -22.6409
            13  N5x N    27.8099  -23.0601
            14  N4x N    28.6482  -21.9424
            15  C8y C    27.8099  -20.8246
            16  N4y N    26.4826  -21.2438
            17  C8y C    25.2950  -20.5452
            18  C8x C    25.2950  -19.1480
            19  C8y C    24.1074  -18.4494
            20  C8y C    22.8500  -19.1480
            21  C8x C    22.8500  -20.5452
            22  C8x C    24.1074  -21.2438
            23  C8x C    23.8280  -17.0522
            24  C8x C    22.4308  -16.9125
            25  N4y N    21.8021  -18.2398
            26  C1a C    20.4049  -18.5193
            27  O5x O    28.2371  -19.4943
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     2   8 1
            9     1   9 1
            10    9  10 1
            11    9  11 1
            12    5  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  16 1
            18   17  16 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   19  23 1
            26   23  24 2
            27   24  25 1
            28   20  25 1
            29   25  26 1
            30   15  27 2

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