KEGG   DRUG: Brilliant blue GHelp
Entry
D10799                      Drug                                   

Name
Brilliant blue G (JAN)
Formula
C47H48N3O7S2. Na
Exact mass
853.2831
Mol weight
854.0197
Structure
Mol fileKCF fileDB search
Efficacy
Neuroprotectant
Target
P2RX7 [HSA:5027] [KO:K05220]
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   ATP-gated cation channel (P2X)
    P2RX7
     D10799  Brilliant blue G (JAN)
BRITE hierarchy
Other DBs
CAS: 6104-58-1
PubChem: 316933535
LinkDB All DBs
KCF data Show

ATOM        60
            1   C2c C    20.5800  -17.7100
            2   C2y C    21.7924  -18.4100
            3   C8y C    19.3676  -18.4100
            4   C8y C    20.5800  -16.3100
            5   C8x C    21.7924  -15.6100
            6   C8x C    21.7924  -14.2100
            7   C8y C    20.5800  -13.5100
            8   C8x C    19.3676  -14.2100
            9   C8x C    19.3676  -15.6100
            10  N1b N    20.5800  -12.1100
            11  C8y C    21.7924  -11.4100
            12  C8x C    22.9879  -12.1004
            13  C8x C    24.2004  -11.4005
            14  C8y C    24.2006  -10.0005
            15  C8x C    23.0051   -9.3101
            16  C8x C    21.7926  -10.0100
            17  O2a O    25.4234   -9.2946
            18  C1b C    26.6323   -9.9926
            19  C1a C    27.8130   -9.3110
            20  C2y C    21.7924  -19.8098
            21  C2x C    23.0049  -20.5098
            22  C2y C    24.2173  -19.8098
            23  C2x C    24.2173  -18.4100
            24  C2x C    23.0049  -17.7100
            25  C8y C    18.1721  -17.7196
            26  C8x C    16.9596  -18.4195
            27  C8y C    16.9594  -19.8195
            28  C8x C    18.1549  -20.5099
            29  C8x C    19.3674  -19.8100
            30  C1a C    20.5632  -20.5197
            31  C1a C    18.1720  -16.3103
            32  N1c N    15.7366  -20.5254
            33  C1b C    14.5277  -19.8274
            34  C1b C    15.7367  -21.9099
            35  C1a C    13.3470  -20.5090
            36  C8y C    14.5343  -22.6043
            37  C8x C    13.3436  -21.9169
            38  C8x C    12.1312  -22.6169
            39  C8x C    12.1312  -24.0169
            40  C8y C    13.3219  -24.7043
            41  C8x C    14.5343  -24.0043
            42  S4a S    13.3220  -26.1098
            43  O1d O    11.9220  -26.1098
            44  O1d O    14.7220  -26.1098
            45  O1d O    13.3220  -27.5098 #-
            46  N2b N    25.4318  -20.5110 #+
            47  C1b C    26.6282  -19.8201
            48  C1b C    25.4319  -21.9098
            49  C1a C    26.6279  -22.6005
            50  C8y C    27.8151  -20.5053
            51  C8x C    27.8152  -21.9098
            52  C8x C    29.0277  -22.6097
            53  C8x C    30.2401  -21.9096
            54  C8y C    30.2400  -20.5051
            55  C8x C    29.0275  -19.8052
            56  S4a S    31.4503  -19.8063
            57  O1d O    32.6627  -19.1063 #-
            58  O1d O    32.1503  -21.0187
            59  O1d O    30.7503  -18.5938
            60  Z   Na   19.4600  -26.8800 #+
BOND        64
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     4   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21    2  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23  24 2
            26    2  24 1
            27    3  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32    3  29 1
            33   20  30 1
            34   25  31 1
            35   27  32 1
            36   32  33 1
            37   32  34 1
            38   33  35 1
            39   34  36 1
            40   36  37 2
            41   37  38 1
            42   38  39 2
            43   39  40 1
            44   40  41 2
            45   36  41 1
            46   40  42 1
            47   42  43 2
            48   42  44 2
            49   42  45 1
            50   22  46 2
            51   46  47 1
            52   46  48 1
            53   48  49 1
            54   47  50 1
            55   50  51 2
            56   51  52 1
            57   52  53 2
            58   53  54 1
            59   54  55 2
            60   50  55 1
            61   54  56 1
            62   56  57 1
            63   56  58 2
            64   56  59 2

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