KEGG   DRUG: Carboprost
Entry
D02343                      Drug                                   
Name
Carboprost (USAN/INN)
Formula
C21H36O5
Exact mass
368.2563
Mol weight
368.5075
Structure
Simcomp
Class
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01960  Prostaglandin F derivative
Remark
Same as: C06872
ATC code: G02AD04
Chemical structure group: DG00449
Product (DG00449): D00682<US>
Efficacy
Oxytocic, Prostaglandin F receptor agonist
Comment
Prostaglandin derivative
Target
PTGFR [HSA:5737] [KO:K04262]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07035  Prostaglandins
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD04 Carboprost
      D02343  Carboprost (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00449  Carboprost
     D02343  Carboprost
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D02343  Carboprost (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01960  Prostaglandin F derivative
    DG00449  Carboprost
Other DBs
CAS: 35700-23-3
PubChem: 7849402
ChEBI: 3403
PDB-CCD: 87Q[PDBj]
LigandBox: D02343
NIKKAJI: J17.442D
KCF data

ATOM        26
            1   C1b C    28.2749  -13.9736
            2   C1b C    29.4679  -14.6624
            3   C1b C    30.6609  -13.9736
            4   C6a C    31.8540  -14.6624
            5   O6a O    33.0470  -13.9736
            6   C1y C    23.2740  -16.4533
            7   C1y C    23.2740  -15.0757
            8   C1y C    21.9653  -14.6624
            9   C1x C    21.1388  -15.7645
            10  C1y C    21.9653  -16.8666
            11  O1a O    21.5442  -13.3508
            12  O1a O    21.5442  -18.1783
            13  C1b C    24.4670  -13.9736
            14  C2b C    25.5913  -14.6624
            15  C2b C    27.1755  -14.6624
            16  O6a O    31.8540  -16.0397
            17  C2b C    24.4670  -17.6243
            18  C2b C    25.6601  -16.9355
            19  C1d C    26.8531  -17.6243
            20  C1b C    28.0461  -16.9355
            21  C1b C    29.2392  -17.6243
            22  C1b C    30.4322  -16.9355
            23  C1b C    31.6252  -17.6243
            24  C1a C    25.8791  -18.5983
            25  O1a O    27.8273  -18.5983
            26  C1a C    32.8056  -16.9427
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10    8  11 1 #Down
            11   10  12 1 #Down
            12    7  13 1 #Down
            13   13  14 1
            14   14  15 2
            15    1  15 1
            16    4  16 2
            17    6  17 1 #Up
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   19  24 1 #Up
            25   19  25 1 #Down
            26   23  26 1

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (15)   

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