KEGG   DRUG: Arbaprostil
Entry
D02975                      Drug                                   

Name
Arbaprostil (USAN/INN)
Formula
C21H34O5
Exact mass
366.2406
Mol weight
366.4917
Structure
Simcomp
Efficacy
Antisecretory (gastric acid)
Comment
Prostaglandin derivative
Target
PTGER2 [HSA:5732] [KO:K04259]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D02975  Arbaprostil (USAN/INN)
Other DBs
CAS: 55028-70-1
PubChem: 17397132
ChEMBL: CHEMBL2105959
LigandBox: D02975
NIKKAJI: J13.115F
LinkDB
KCF data

ATOM        26
            1   C1y C    25.0716  -16.2306
            2   C1y C    25.0651  -17.6407
            3   C5x C    23.7324  -15.7906
            4   C1b C    26.3008  -15.0483
            5   C1y C    23.7196  -18.0678
            6   C2b C    26.2815  -18.3460
            7   C1x C    22.9046  -16.9292
            8   O5x O    23.2990  -14.4516
            9   C2b C    27.5169  -15.7535
            10  O1a O    23.2731  -19.1891
            11  C2b C    27.4974  -17.6407
            12  C2b C    28.9207  -15.7599
            13  C1d C    28.7202  -18.3460
            14  C1b C    30.1434  -15.0548
            15  C1b C    29.9362  -17.6407
            16  C1b C    31.3596  -15.7599
            17  C1b C    31.1590  -18.3460
            18  C1b C    32.5821  -15.0419
            19  C1b C    32.3751  -17.6407
            20  C1b C    33.5913  -18.3460
            21  C1a C    34.8140  -17.6407
            22  O1a O    27.5077  -19.0461
            23  C1a C    29.9327  -19.0461
            24  C6a C    33.7730  -15.7314
            25  O6a O    34.9534  -15.0517
            26  O6a O    33.7718  -17.1496
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21    5   7 1
            22   13  22 1 #Up
            23   13  23 1 #Down
            24   18  24 1
            25   24  25 1
            26   24  26 2

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