KEGG   DRUG: ClomocyclineHelp
Entry
D06885                      Drug                                   

Name
Clomocycline (INN)
Formula
C23H25ClN2O9
Exact mass
508.1249
Mol weight
508.9056
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: J01AA11
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA11 Clomocycline
      D06885  Clomocycline (INN)
BRITE hierarchy
Other DBs
CAS: 1181-54-0
PubChem: 49661785
ChEBI: 59589
ChEMBL: CHEMBL2106071
DrugBank: DB00453
LigandBox: D06885
NIKKAJI: J7.301F
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8x C     5.2500  -23.1000
            2   C8x C     5.2500  -24.5000
            3   C8y C     6.4624  -25.2000
            4   C8y C     7.6749  -24.5000
            5   C8y C     7.6749  -23.1000
            6   C8y C     6.4624  -22.4000
            7   C5x C     8.8873  -25.2000
            8   C2y C    10.0997  -24.5000
            9   C1y C    10.0997  -23.1000
            10  C1z C     8.8873  -22.4000
            11  C2y C    11.3122  -25.2000
            12  C1z C    12.5246  -24.5000
            13  C1y C    12.5246  -23.1000
            14  C1x C    11.3122  -22.4000
            15  C5x C    13.7370  -25.2000
            16  C2y C    14.9495  -24.5000
            17  C2y C    14.9495  -23.1000
            18  C1y C    13.7370  -22.4000
            19  X   Cl    6.4624  -21.0002
            20  O1a O     6.4624  -26.5998
            21  O5x O     8.8873  -26.6000
            22  O1a O    11.3122  -26.5997
            23  O5x O    13.7370  -26.5999
            24  C5a C    16.1846  -25.2134
            25  N1b N    17.3919  -24.5166
            26  C1b C    18.5731  -25.1989
            27  O1a O    19.7677  -24.5092
            28  O5a O    16.1842  -26.5999
            29  O1a O    16.1846  -22.3866
            30  C1a C     8.8873  -21.0000
            31  O1a O     7.6769  -21.7012
            32  N1c N    13.7370  -21.0001
            33  C1a C    12.5118  -20.2926
            34  C1a C    14.9367  -20.3074
            35  O1a O    12.5246  -25.9000
BOND        38
            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 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    6  19 1
            23    3  20 1
            24    7  21 2
            25   11  22 1
            26   15  23 2
            27   16  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   24  28 2
            32   17  29 1
            33   10  30 1 #Down
            34   10  31 1 #Up
            35   18  32 1 #Down
            36   32  33 1
            37   32  34 1
            38   12  35 1 #Down

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