KEGG   DRUG: Doxycycline calcium
Entry
D03903                      Drug                                   
Name
Doxycycline calcium (USP)
Formula
C22H20N2O8. 2Ca
Exact mass
520.0471
Mol weight
520.56
Structure
Simcomp
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: A01AB22 J01AA02
Chemical structure group: DG00008
Product (DG00008): D00307<US> D02129<JP/US>
Efficacy
Antibacterial, Antiprotozoal, Protein biosynthesis inhibitor
  Disease
Rocky Mountain spotted fever [DS:H00323]
Typhus fever [DS:H00322]
Q fever [DS:H00310]
Lymphogranuloma venereum [DS:H00348]
Psittacosis [DS:H00350]
Trachoma [DS:H00349]
Relapsing fever [DS:H00427]
Chancroid [DS:H00305]
Plague [DS:H00297]
Tularemia [DS:H00312]
Cholera [DS:H00110]
Campylobacter fetus infection [DS:H00321]
Brucellosis [DS:H00325]
Bartonellosis [DS:H00326]
Granuloma inguinale [DS:H01415]
Anthrax [DS:H00328]
Gonorrhea [DS:H00315]
Syphilis [DS:H00354]
Yaws [DS:H01318]
Listeriosis [DS:H00332]
Vincent's infection [DS:H01440]
Actinomycosis [DS:H01325]
Amebiasis [DS:H00360]
Severe acne [DS:H01445]
Malaria [DS:H00361]
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07019  Tetracyclines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D03903  Doxycycline calcium (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D03903  Doxycycline calcium (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D03903  Doxycycline calcium (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG00008  Doxycycline
    D03903  Doxycycline calcium
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Tetracycline
    D03903  Doxycycline calcium (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01197  Tetracycline antibiotic
   DG00008  Doxycycline
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Tetracycline
    DG00008  Doxycycline
Other DBs
CAS: 94088-85-4
PubChem: 17397986
LigandBox: D03903
NIKKAJI: J290.632E
LinkDB
KCF data

ATOM        34
            1   Z   Ca   29.8200  -20.5939 #2+
            2   C8x C    12.1800  -20.0200
            3   C8x C    12.1800  -21.4200
            4   C8y C    13.3924  -22.1200
            5   C8y C    14.6049  -21.4200
            6   C8y C    14.6049  -20.0200
            7   C8x C    13.3924  -19.3200
            8   C5x C    15.8173  -22.1200
            9   C2y C    17.0297  -21.4200
            10  C1y C    17.0297  -20.0200
            11  C1y C    15.8173  -19.3200
            12  C2y C    18.2422  -22.1200
            13  C1z C    19.4546  -21.4200
            14  C1y C    19.4546  -20.0200
            15  C1y C    18.2422  -19.3200
            16  C5x C    20.6670  -22.1200
            17  C2y C    21.8795  -21.4200
            18  C2y C    21.8795  -20.0200
            19  C1y C    20.6670  -19.3200
            20  C5a C    23.1146  -22.1334
            21  N1a N    24.3219  -21.4366
            22  O5a O    23.1142  -23.5199
            23  O1a O    23.1146  -19.3066
            24  N1c N    20.6670  -17.9201
            25  C1a C    19.4418  -17.2126
            26  C1a C    21.8667  -17.2274
            27  O1a O    18.2422  -17.9203 #-
            28  C1a C    15.8173  -17.9200
            29  O1a O    13.3924  -23.5198 #-
            30  O5x O    15.8173  -23.5200
            31  O1a O    18.2422  -23.5197 #-
            32  O1a O    19.4546  -22.8200 #-
            33  O5x O    20.6670  -23.5199
            34  Z   Ca   29.8200  -20.5939 #2+
BOND        35
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   13  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23   20  21 1
            24   20  22 2
            25   18  23 1
            26   19  24 1 #Down
            27   24  25 1
            28   24  26 1
            29   15  27 1 #Down
            30   11  28 1 #Down
            31    4  29 1
            32    8  30 2
            33   12  31 1
            34   13  32 1 #Down
            35   16  33 2
BRACKET     1    28.4200  -21.9100   28.4200  -18.9700
            1    32.2000  -18.9700   32.2000  -21.9100
            1  2
 ORIGINAL  1    1
 REPEAT    1   36

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