KEGG   DRUG: D04050Help
Entry
D04050                      Drug                                   

Name
Ertiprotafib (USAN/INN)
Formula
C31H27BrO3S
Exact mass
558.0864
Mol weight
559.5133
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of non-insulin dependent diabetes [protein tyrosine phosphatase 1B inhibitor]
Target
protein tyrosine phosphatase, non-receptor type 1 (PTP1B) inhibitor [HSA:5770] [KO:K05696]
  Pathway
hsa04910  Insulin signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   protein tyrosine phosphatase, non-receptor type 1 (PTP1B)
    Ertiprotafib
     D04050  Ertiprotafib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
251303-04-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        36
            1   C8x C    10.0800  -17.4300
            2   C8x C    10.0800  -18.8300
            3   C8x C    11.2924  -19.5300
            4   C8y C    12.5049  -18.8300
            5   C8y C    12.5049  -17.4300
            6   C8x C    11.2924  -16.7300
            7   C8y C    13.7173  -19.5300
            8   C8y C    14.9297  -18.8300
            9   C8y C    14.9297  -17.4300
            10  C8y C    13.7173  -16.7300
            11  S2x S    16.2612  -19.2626
            12  C8y C    17.0841  -18.1300
            13  C8y C    16.2612  -16.9974
            14  C1a C    18.4800  -18.1300
            15  C1a C    16.6879  -15.6836
            16  X   Br   13.7173  -20.9300
            17  C8y C    13.7173  -15.3300
            18  C8x C    14.9318  -14.6288
            19  C8y C    14.9318  -13.2288
            20  C8y C    13.7193  -12.5288
            21  C8y C    12.5049  -13.2300
            22  C8x C    12.5049  -14.6300
            23  O2a O    13.7193  -11.1300
            24  C1a C    11.3114  -12.5408
            25  C1a C    16.1273  -12.5384
            26  C1c C    14.9323  -10.4297
            27  C1b C    16.1280  -11.1202
            28  C8y C    17.3152  -10.4349
            29  C6a C    14.9323   -9.0302
            30  O6a O    16.1280   -8.3398
            31  O6a O    13.7032   -8.3204
            32  C8x C    18.5065  -11.1229
            33  C8x C    19.7191  -10.4230
            34  C8x C    19.7192   -9.0230
            35  C8x C    18.5279   -8.3350
            36  C8x C    17.3154   -9.0349
BOND        40
            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     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15    9  13 1
            16   12  14 1
            17   13  15 1
            18    7  16 1
            19   10  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   17  22 1
            26   20  23 1
            27   21  24 1
            28   19  25 1
            29   23  26 1
            30   26  27 1
            31   27  28 1
            32   26  29 1 #Up
            33   29  30 2
            34   29  31 1
            35   28  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   28  36 1

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