KEGG   DRUG: Rifalazil
Entry
D02550                      Drug                                   

Name
Rifalazil (USAN/INN);
RLZ
Formula
C51H64N4O13
Exact mass
940.447
Mol weight
941.0729
Structure
Simcomp
Class
Antibacterial
 DG01598  Rifamycin antibiotic
 DG01966  Antitubercular
  DG01598  Rifamycin antibiotic
Efficacy
Antibacterial (antimycobacterial)
Comment
Rifamycin derivative
Target
DNA-directed RNA polymerase subunit beta [KO:K03043]
Interaction
Structure map
map07023  Rifamycins
Brite
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Rifamycin
    D02550  Rifalazil (USAN/INN)
Other DBs
CAS: 129791-92-0
PubChem: 17396721
ChEMBL: CHEMBL236297
LigandBox: D02550
NIKKAJI: J406.601D
LinkDB
KCF data

ATOM        68
            1   C1c C    29.5400   -4.7600
            2   C1c C    29.5400   -6.2300
            3   O1a O    31.9900   -6.1600
            4   C1c C    31.9900   -4.7600
            5   C1c C    30.7300   -4.0600
            6   C2b C    34.3700   -4.7600
            7   C1c C    33.1800   -4.0600
            8   C5a C    35.6300   -6.9300
            9   C2c C    36.8200   -6.2300
            10  C2b C    36.8200   -4.7600
            11  C2b C    35.6300   -4.0600
            12  C1a C    33.1800   -2.6600
            13  C1a C    30.7300   -2.6600
            14  O1a O    28.3500   -4.0600
            15  C1a C    38.0100   -6.9300
            16  O5a O    34.4400   -6.2300
            17  N1b N    35.6300   -8.6100
            18  C1c C    28.3500   -6.9300
            19  O7a O    27.1600   -6.2300
            20  C1c C    28.3500   -8.6100
            21  C8y C    34.4400   -9.3100
            22  C8y C    34.4400  -10.7100
            23  C8y C    33.1800   -8.6100
            24  C8y C    31.9900   -9.3100
            25  C8y C    31.9900  -10.7100
            26  C8y C    33.1800  -11.4100
            27  C8y C    30.8000   -8.6100
            28  C8y C    29.5400   -9.3100
            29  C8y C    29.5400  -10.7100
            30  C8y C    30.8000  -11.4100
            31  O5x O    33.1800   -7.2100
            32  O1a O    30.8000   -7.2100
            33  C1a C    28.3500   -5.1100
            34  C7a C    25.9000   -5.5300
            35  C1a C    24.7100   -6.2300
            36  O6a O    25.9000   -4.1300
            37  C1c C    27.1600   -9.3100
            38  O2a O    25.9700   -8.6100
            39  C2b C    27.1600  -10.7100
            40  C1a C    27.1600   -7.6300
            41  C1a C    24.7800   -9.3100
            42  C2b C    25.9700  -11.4100
            43  O2a O    25.9700  -12.8100
            44  O2x O    28.3500  -11.4100
            45  C1z C    28.3500  -12.8100
            46  C5x C    30.8000  -12.8100
            47  C1a C    28.3500  -14.2100
            48  C1a C    29.5400   -7.9100
            49  N5x N    33.1569  -12.8098
            50  C8y C    34.3576  -13.5297
            51  C8y C    35.6176  -12.8297
            52  O2x O    35.6407  -11.4299
            53  C8y C    34.4045  -14.9295
            54  C8x C    35.5352  -15.6494
            55  C8y C    36.7952  -14.9494
            56  C8x C    36.8183  -13.5496
            57  O1a O    33.1716  -15.6338
            58  N1y N    38.0278  -15.6880
            59  C1x C    38.0051  -17.0800
            60  C1x C    39.2059  -17.7997
            61  N1y N    40.4296  -17.1196
            62  C1x C    40.4523  -15.7276
            63  C1x C    39.2515  -15.0079
            64  C1b C    41.6664  -17.8604
            65  C1c C    42.8817  -17.1844
            66  C1a C    44.0877  -17.9070
            67  C1a C    42.9040  -15.7500
            68  O5x O    31.9508  -13.4801
BOND        74
            1     1   2 1
            2     4   3 1 #Down
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     4   7 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    6  11 2
            11    7  12 1 #Up
            12    5  13 1 #Down
            13    1  14 1 #Down
            14    9  15 1
            15    8  16 2
            16    8  17 1
            17    2  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   17  21 1
            21   21  22 2
            22   21  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   24  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   25  30 2
            31   23  31 2
            32   27  32 1
            33    2  33 1 #Up
            34   19  34 1
            35   34  35 1
            36   34  36 2
            37   26  22 1
            38   20  37 1
            39   37  38 1 #Down
            40   37  39 1
            41   20  40 1 #Down
            42   38  41 1
            43   39  42 2
            44   42  43 1
            45   29  44 1
            46   44  45 1
            47   43  45 1
            48   30  46 1
            49   45  46 1
            50   45  47 1 #Down
            51   28  48 1
            52   26  49 2
            53   49  50 1
            54   50  51 1
            55   51  52 1
            56   22  52 1
            57   50  53 2
            58   53  54 1
            59   54  55 2
            60   55  56 1
            61   51  56 2
            62   53  57 1
            63   55  58 1
            64   58  59 1
            65   59  60 1
            66   60  61 1
            67   61  62 1
            68   62  63 1
            69   58  63 1
            70   61  64 1
            71   64  65 1
            72   65  66 1
            73   65  67 1
            74   68  46 2

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