KEGG   DRUG: D06144Help
Entry
D06144                      Drug                                   

Name
Tigemonam dicholine (USAN);
Tigemen (TN)
Formula
C12H13N5O9S2. (C5H14NO)2
Exact mass
643.2305
Mol weight
643.7312
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antimicrobial
Target
penicillin binding proteins inhibitor
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Brite
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Monobactams
     Tigemonam
      D06144  Tigemonam dicholine (USAN)
BRITE hierarchy
Other DBs
CAS: 
102916-21-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        42
            1   C1b C    25.6920  -18.9537
            2   N1d N    24.5069  -18.2566 #+
            3   C1b C    26.8772  -18.2566
            4   C1a C    23.2520  -18.9537
            5   C1a C    24.5069  -16.7926
            6   O1a O    28.0623  -18.9537
            7   C1a C    24.5069  -19.6509
            8   C1y C    14.1557  -17.2964
            9   C5x C    14.1571  -18.6959
            10  N1y N    15.5436  -18.6870
            11  C1z C    15.5348  -17.2914
            12  O5x O    13.1787  -19.6932
            13  N1b N    13.4556  -16.0762
            14  C5a C    12.2531  -16.7902
            15  C2c C    11.0400  -16.0854
            16  C8y C     9.8277  -16.7931
            17  C8x C     8.6955  -15.9646
            18  O5a O    12.2598  -18.1999
            19  N2b N    11.0400  -14.6759
            20  S2x S     7.5610  -16.7932
            21  C8y C     7.9922  -18.1339
            22  N5x N     9.3234  -18.1264
            23  N1a N     7.1549  -19.2910
            24  O2a O    12.1826  -13.9598
            25  C1b C    12.1826  -12.5501
            26  C6a C    10.9862  -11.8551
            27  O6a O     9.7892  -12.5509 #-
            28  O6a O    10.9861  -10.4466
            29  C1a C    16.8146  -16.6810
            30  C1a C    15.5348  -15.8972
            31  O2a O    16.5847  -19.8349
            32  S4a S    17.6591  -20.9357
            33  O1d O    18.6657  -21.9358 #-
            34  O1d O    18.6443  -19.8966
            35  O1d O    16.7049  -21.9422
            36  C1b C    25.6920  -18.9537
            37  N1d N    24.5069  -18.2566 #+
            38  C1a C    23.2520  -18.9537
            39  C1a C    24.5069  -16.7926
            40  C1a C    24.5069  -19.6509
            41  C1b C    26.8772  -18.2566
            42  O1a O    28.0623  -18.9537
BOND        41
            1     8   9 1
            2     9  10 1
            3    10  11 1
            4     8  11 1
            5     9  12 2
            6     8  13 1 #Up
            7    13  14 1
            8    14  15 1
            9    15  16 1
            10   16  17 2
            11   14  18 2
            12   15  19 2
            13   17  20 1
            14   20  21 1
            15   21  22 2
            16   16  22 1
            17   21  23 1
            18   24  25 1
            19   25  26 1
            20   26  27 1
            21   26  28 2
            22   19  24 1
            23   11  29 1
            24   11  30 1
            25   10  31 1
            26   32  33 1
            27   32  34 2
            28   32  35 2
            29   31  32 1
            30    1   2 1
            31    1   3 1
            32    2   4 1
            33    2   5 1
            34    3   6 1
            35    2   7 1
            36   36  37 1
            37   36  41 1
            38   37  38 1
            39   37  39 1
            40   41  42 1
            41   37  40 1
BRACKET     1    21.2800  -21.1400   21.2800  -15.6100
            1    29.1900  -15.6100   29.1900  -21.1400
            1  2
 ORIGINAL  1    1   2   4   5   7   3   6
 REPEAT    1   36  37  38  39  40  41  42

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